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

Systemtic Name: methyl 4-chloranyl-3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-chloro-3-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(3-chloro-N-mesyl-anilino)butanoylamino]benzoic acid methyl ester Formula: C19H20Cl2N2O5S MolecularWeight: 459.3435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N2O5S/c1-4-17(23(29(3,26)27)14-7-5-6-13(20)11-14)18(24)22-16-10-12(19(25)28-2)8-9-15(16)21/h5-11,17H,4H2,1-3H3,(H,22,24)