(2-chloranyl-4-nitro-phenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: (2-chloro-4-nitro-phenyl) 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-piperidino-benzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-22(2)31(28,29)15-7-8-18(23-10-4-3-5-11-23)16(13-15)20(25)30-19-9-6-14(24(26)27)12-17(19)21/h6-9,12-13H,3-5,10-11H2,1-2H3