[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O7S/c1-15-7-8-20(21(10-15)26(29)30)24-22(27)14-33-23(28)18-5-4-6-19(11-18)34(31,32)25-12-16(2)9-17(3)13-25/h4-8,10-11,16-17H,9,12-14H2,1-3H3,(H,24,27)