propan-2-yl 3-(4-methylphenyl)-3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]propanoate Openeye Name: isopropyl 3-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C

InChI

InChI=1S/C23H30N2O5S/c1-16(2)30-23(27)14-20(19-12-10-17(3)11-13-19)24-22(26)15-25(31(5,28)29)21-9-7-6-8-18(21)4/h6-13,16,20H,14-15H2,1-5H3,(H,24,26)