methyl 3-[4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoate Openeye Name: methyl 3-[4-[2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoate CAS Name: 3-[4-[[2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-indolyl]sulfonyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoate Traditional Name: 3-[4-[2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propionic acid methyl ester Formula: C24H21NO6S MolecularWeight: 451.49164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4(C=CC(=O)C=C4)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4(C=CC(=O)C=C4)O

InChI

InChI=1S/C24H21NO6S/c1-31-23(27)11-8-17-6-9-20(10-7-17)32(29,30)25-21-5-3-2-4-18(21)16-22(25)24(28)14-12-19(26)13-15-24/h2-7,9-10,12-16,28H,8,11H2,1H3