ethyl 4-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]benzoate Openeye Name: ethyl 4-[(3-nitrophenyl)methyl-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]benzoate Traditional Name: 4-[(3-nitrobenzyl)-tosyl-amino]benzoic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N2O6S/c1-3-31-23(26)19-9-11-20(12-10-19)24(16-18-5-4-6-21(15-18)25(27)28)32(29,30)22-13-7-17(2)8-14-22/h4-15H,3,16H2,1-2H3