[3-(dimethylsulfamoyl)phenyl]methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-16-6-5-11-24(14-16)20-10-9-18(13-21(20)25(27)28)22(26)31-15-17-7-4-8-19(12-17)32(29,30)23(2)3/h4,7-10,12-13,16H,5-6,11,14-15H2,1-3H3/t16-/m0/s1