ethyl 4-methyl-3-[[4-[(2-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[[4-[(2-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[4-[methylsulfonyl(o-tolylmethyl)amino]benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[[4-[(2-methylphenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate Traditional Name: 3-[[4-[mesyl-(2-methylbenzyl)amino]benzoyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3C)S(=O)(=O)C

InChI

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