methyl 4-methyl-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[methyl(tosyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C19H22N2O5S/c1-13-5-9-16(10-6-13)27(24,25)21(3)12-18(22)20-17-11-15(19(23)26-4)8-7-14(17)2/h5-11H,12H2,1-4H3,(H,20,22)