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

Systemtic Name: methyl (2S)-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(3-chloro-N-mesyl-anilino)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O5S/c1-27-19(24)17(11-14-7-4-3-5-8-14)21-18(23)13-22(28(2,25)26)16-10-6-9-15(20)12-16/h3-10,12,17H,11,13H2,1-2H3,(H,21,23)/t17-/m0/s1