methyl 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]benzoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]benzoate Openeye Name: methyl 2-[(4-nitrophenyl)methyl-(p-tolylsulfonyl)amino]benzoate CAS Name: 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]benzoate Traditional Name: 2-[(4-nitrobenzyl)-tosyl-amino]benzoic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H20N2O6S/c1-16-7-13-19(14-8-16)31(28,29)23(15-17-9-11-18(12-10-17)24(26)27)21-6-4-3-5-20(21)22(25)30-2/h3-14H,15H2,1-2H3