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

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-22(2)31(28,29)18-8-6-7-16(13-18)15-30-21(25)17-9-10-19(20(14-17)24(26)27)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12,15H2,1-2H3