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

Systemtic Name: ethyl 2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[2-(3-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=CC=C1C(=O)OCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

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