(E)-3-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-(5-cyano-1-tosyl-indol-3-yl)acrylic acid Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)/C=C/C(=O)O

InChI

InChI=1S/C19H14N2O4S/c1-13-2-6-16(7-3-13)26(24,25)21-12-15(5-9-19(22)23)17-10-14(11-20)4-8-18(17)21/h2-10,12H,1H3,(H,22,23)/b9-5+