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

Systemtic Name: methyl 3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-9-7-8-12-18(15)22(28(3,25)26)14-19(23)21-17(13-20(24)27-2)16-10-5-4-6-11-16/h4-12,17H,13-14H2,1-3H3,(H,21,23)