(4-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid (4-nitrobenzyl) ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-3-24(4-2)32(29,30)19-11-12-21(23-13-5-6-14-23)20(15-19)22(26)31-16-17-7-9-18(10-8-17)25(27)28/h7-12,15H,3-6,13-14,16H2,1-2H3