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

Systemtic Name: dimethyl 5-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(benzylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H21N3O8S/c1-33-22(27)16-10-17(23(28)34-2)12-18(11-16)25-35(31,32)19-8-9-20(21(13-19)26(29)30)24-14-15-6-4-3-5-7-15/h3-13,24-25H,14H2,1-2H3