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

Systemtic Name: methyl (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitro-indol-3-yl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[5-nitro-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitro-3-indolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitroindol-3-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-(5-nitro-1-tosyl-indol-3-yl)acrylic acid methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C=C(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])/C=C(/C(=O)OC)\NC(=O)C

InChI

InChI=1S/C21H19N3O7S/c1-13-4-7-17(8-5-13)32(29,30)23-12-15(10-19(21(26)31-3)22-14(2)25)18-11-16(24(27)28)6-9-20(18)23/h4-12H,1-3H3,(H,22,25)/b19-10-