methyl (2S)-2-[(4-methylphenyl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S)-2-[(4-methylbenzoyl)amino]-3-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[[(4-methylphenyl)-oxomethyl]amino]-3-[(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylbenzoyl)amino]-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(p-toluoylamino)-3-(tosylamino)propionic 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)C(=O)NC(CNS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C19H22N2O5S/c1-13-4-8-15(9-5-13)18(22)21-17(19(23)26-3)12-20-27(24,25)16-10-6-14(2)7-11-16/h4-11,17,20H,12H2,1-3H3,(H,21,22)/t17-/m0/s1