(phenylmethyl) 1-[2-azanyl-5-(dimethylsulfamoyl)phenyl]carbonyl-4-nitro-piperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-azanyl-5-(dimethylsulfamoyl)phenyl]carbonyl-4-nitro-piperazine-2-carboxylate Openeye Name: benzyl 1-[2-amino-5-(dimethylsulfamoyl)benzoyl]-4-nitro-piperazine-2-carboxylate CAS Name: 1-[[2-amino-5-(dimethylsulfamoyl)phenyl]-oxomethyl]-4-nitro-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-amino-5-(dimethylsulfamoyl)benzoyl]-4-nitropiperazine-2-carboxylate Traditional Name: 1-[2-amino-5-(dimethylsulfamoyl)benzoyl]-4-nitro-piperazine-2-carboxylic acid benzyl ester Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(=O)N2CCN(CC2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(=O)N2CCN(CC2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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