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

Systemtic Name: methyl 4-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[methyl(tosyl)amino]acetyl]amino]methyl]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)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O5S/c1-14-4-10-17(11-5-14)27(24,25)21(2)13-18(22)20-12-15-6-8-16(9-7-15)19(23)26-3/h4-11H,12-13H2,1-3H3,(H,20,22)