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

Systemtic Name: methyl 2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 2-[2-(4-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[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=C1C(=O)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=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)14-11-9-13(20)10-12-14)18(23)21-16-8-6-5-7-15(16)19(24)27-2/h5-12,17H,4H2,1-3H3,(H,21,23)