4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylbenzonitrile CAS Name: 4-[[2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-indolyl]sulfonyl]benzonitrile IUPAC Name: 4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylbenzonitrile Traditional Name: 4-[2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylbenzonitrile Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=C(C=C3)C#N)C4(C=CC(=O)C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=C(C=C3)C#N)C4(C=CC(=O)C=C4)O

InChI

InChI=1S/C21H14N2O4S/c22-14-15-5-7-18(8-6-15)28(26,27)23-19-4-2-1-3-16(19)13-20(23)21(25)11-9-17(24)10-12-21/h1-13,25H