[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-[(2-nitrophenyl)amino]propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-[(2-nitrophenyl)amino]propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2-nitroanilino)propanoate CAS Name: 3-(2-nitroanilino)propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(2-nitroanilino)propanoate Traditional Name: 3-(2-nitroanilino)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C24H25N3O6S/c1-17-8-13-21(16-18(17)2)34(31,32)26(3)19-9-11-20(12-10-19)33-24(28)14-15-25-22-6-4-5-7-23(22)27(29)30/h4-13,16,25H,14-15H2,1-3H3