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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-14-3-2-10-24(12-14)33(30,31)19-11-15(4-9-18(19)22)21(27)32-13-20(26)23-16-5-7-17(8-6-16)25(28)29/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,26)/t14-/m0/s1