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

Systemtic Name: ethyl 2-chloranyl-4-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-chloro-4-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-4-[2-(3-chloro-N-mesyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C20H22Cl2N2O5S MolecularWeight: 473.37008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N2O5S/c1-4-18(24(30(3,27)28)15-8-6-7-13(21)11-15)19(25)23-14-9-10-16(17(22)12-14)20(26)29-5-2/h6-12,18H,4-5H2,1-3H3,(H,23,25)