(Q76728541)

English

4-cyano-N-[3-[(S)-cyclopropyl-[(5Z,7Z,9Z)-4-hydroxy-2-oxocycloocta[b]pyran-3-yl]methyl]phenyl]benzenesulfonamide

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Statements

type of chemical entity

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chemical compound

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498.12494280399994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₂₂N₂O₅S

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canonical SMILES

N#Cc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)C=CC=CC=C4)C3CC3)c2)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CC1[C@@H](C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C4=C(C/5=C(/C=C\C=C/C=C5)OC4=O)O

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Identifiers

InChI=1S/C28H22N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h1-11,14-16,19,25,30-31H,12-13H2/b2-1-,3-1?,4-2?,8-3-,9-4-,23-8?,24-9?/t25-/m0/s1

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OOOSLSIBCYODDW-QFWALGQKSA-N

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UniChem compound ID

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