ethyl 3-methyl-4-[[4-[(4-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[[4-[(4-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[4-[methylsulfonyl(p-tolylmethyl)amino]benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate Traditional Name: 4-[[4-[mesyl-(4-methylbenzyl)amino]benzoyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C)C

InChI

InChI=1S/C26H28N2O5S/c1-5-33-26(30)22-12-15-24(19(3)16-22)27-25(29)21-10-13-23(14-11-21)28(34(4,31)32)17-20-8-6-18(2)7-9-20/h6-16H,5,17H2,1-4H3,(H,27,29)