(3-nitrophenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate

Systemtic Name: (3-nitrophenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: (3-nitrophenyl) 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-piperidino-benzoic acid (3-nitrophenyl) ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-21(2)30(27,28)17-9-10-19(22-11-4-3-5-12-22)18(14-17)20(24)29-16-8-6-7-15(13-16)23(25)26/h6-10,13-14H,3-5,11-12H2,1-2H3