methyl 3-[[(2S)-2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-(4-chloro-N-methylsulfonyl-anilino)propanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-(4-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-(4-chloro-N-mesyl-anilino)propanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S/c1-12-5-6-14(19(24)27-3)11-17(12)21-18(23)13(2)22(28(4,25)26)16-9-7-15(20)8-10-16/h5-11,13H,1-4H3,(H,21,23)/t13-/m0/s1