[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-15-6-5-11-24(13-15)18-10-9-16(12-19(18)25(28)29)22(27)32-14-21(26)23-17-7-3-4-8-20(17)33(2,30)31/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1