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

Systemtic Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-tosylindol-3-yl)acryloyl]amino]benzoate Formula: C26H18N3O5S- MolecularWeight: 484.50322

Click to see the large picture

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)/p-1/b19-14+