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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-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-(2-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/c1-15-11-16(2)14-25(13-15)34(31,32)19-8-6-7-18(12-19)23(28)33-17(3)22(27)24-20-9-4-5-10-21(20)26(29)30/h4-10,12,15-17H,11,13-14H2,1-3H3,(H,24,27)