4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(1-tosylindol-3-yl)acryloyl]amino]benzoic acid Formula: C26H19N3O5S MolecularWeight: 485.51116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19N3O5S/c1-17-6-12-22(13-7-17)35(33,34)29-16-20(23-4-2-3-5-24(23)29)14-19(15-27)25(30)28-21-10-8-18(9-11-21)26(31)32/h2-14,16H,1H3,(H,28,30)(H,31,32)/b19-14+