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

Systemtic Name: ethyl 4-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 4-[2-(4-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chloro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(4-chloro-N-mesyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-4-18(23(29(3,26)27)17-12-8-15(21)9-13-17)19(24)22-16-10-6-14(7-11-16)20(25)28-5-2/h6-13,18H,4-5H2,1-3H3,(H,22,24)