[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)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)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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