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(Q76756002)
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English
N-[(1S,2S)-2-amino-1,2-bis(2,4,6-trimethylphenyl)ethyl]-4-methylbenzenesulfonamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
450.234099328
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₇H₃₄N₂O₂S
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canonical SMILES
Cc1ccc(S(=O)(=O)NC(c2c(C)cc(C)cc2C)C(N)c2c(C)cc(C)cc2C)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=C(C=C(C=C2C)C)C)[C@H](C3=C(C=C(C=C3C)C)C)N
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Identifiers
InChI
InChI=1S/C27H34N2O2S/c1-16-8-10-23(11-9-16)32(30,31)29-27(25-21(6)14-18(3)15-22(25)7)26(28)24-19(4)12-17(2)13-20(24)5/h8-15,26-27,29H,28H2,1-7H3/t26-,27-/m0/s1
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InChIKey
XAXZXGHDWDUHFH-SVBPBHIXSA-N
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CAS Registry Number
1293946-41-4
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PubChem CID
71311049
1 reference
matched by identifier from
InChIKey
InChIKey
XAXZXGHDWDUHFH-SVBPBHIXSA-N
UniChem compound ID
20664347
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20746453
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
XAXZXGHDWDUHFH-SVBPBHIXSA-N
DSSTOX compound identifier
DTXCID60697197
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