methyl (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate

Systemtic Name: methyl (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-(5-methoxy-1-tosyl-indol-3-yl)acrylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)C=C(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)/C=C(/C(=O)OC)\NC(=O)C

InChI

InChI=1S/C22H22N2O6S/c1-14-5-8-18(9-6-14)31(27,28)24-13-16(11-20(22(26)30-4)23-15(2)25)19-12-17(29-3)7-10-21(19)24/h5-13H,1-4H3,(H,23,25)/b20-11-