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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O5S/c1-4-17(22(28(3,25)26)16-10-8-14(20)9-11-16)18(23)21-15-7-5-6-13(12-15)19(24)27-2/h5-12,17H,4H2,1-3H3,(H,21,23)