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

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

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)Cl

InChI

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