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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(4-fluoro-N-mesyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN2O5S/c1-4-18(24(30(3,27)28)15-9-7-14(22)8-10-15)19(25)23-17-11-6-13(12-16(17)21)20(26)29-5-2/h6-12,18H,4-5H2,1-3H3,(H,23,25)