methyl 4-[4-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[[4-(dimethylsulfamoyl)anilino]-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]piperazino]-3-nitro-benzoic acid methyl 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)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O7S/c1-23(2)34(31,32)17-7-5-16(6-8-17)22-21(28)25-12-10-24(11-13-25)18-9-4-15(20(27)33-3)14-19(18)26(29)30/h4-9,14H,10-13H2,1-3H3,(H,22,28)