(4-nitrophenyl)methyl 5-(2-aminophenyl)carbonyl-1-(dimethylsulfamoyl)piperazine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-(2-aminophenyl)carbonyl-1-(dimethylsulfamoyl)piperazine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(2-aminobenzoyl)-1-(dimethylsulfamoyl)piperazine-2-carboxylate CAS Name: 5-[(2-aminophenyl)-oxomethyl]-1-(dimethylsulfamoyl)-2-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(2-aminobenzoyl)-1-(dimethylsulfamoyl)piperazine-2-carboxylate Traditional Name: 5-anthraniloyl-1-(dimethylsulfamoyl)piperazine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC(NCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3N

Isomeric SMILES

CN(C)S(=O)(=O)N1CC(NCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3N

InChI

InChI=1S/C21H25N5O7S/c1-24(2)34(31,32)25-12-18(20(27)16-5-3-4-6-17(16)22)23-11-19(25)21(28)33-13-14-7-9-15(10-8-14)26(29)30/h3-10,18-19,23H,11-13,22H2,1-2H3