[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N3O7S/c1-23-21-13-6-16(25(27)28)14-20(21)22(26)32-18-7-4-15(5-8-18)24(2)33(29,30)19-11-9-17(31-3)10-12-19/h4-14,23H,1-3H3