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

Systemtic Name: propan-2-yl 3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-16(2)29-22(26)14-19(18-11-6-5-7-12-18)23-21(25)15-24(30(4,27)28)20-13-9-8-10-17(20)3/h5-13,16,19H,14-15H2,1-4H3,(H,23,25)