[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-14-5-4-10-24(12-14)33(30,31)19-11-15(8-9-16(19)22)21(27)32-13-20(26)23-17-6-2-3-7-18(17)25(28)29/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,26)