5-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(benzylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]isophthalic acid Formula: C21H17N3O8S MolecularWeight: 471.43998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O8S/c25-20(26)14-8-15(21(27)28)10-16(9-14)23-33(31,32)17-6-7-18(19(11-17)24(29)30)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2,(H,25,26)(H,27,28)