2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(4-fluoro-N-mesyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C26H28FN3O4S/c1-3-24(30(35(2,33)34)21-15-13-20(27)14-16-21)26(32)29-23-12-8-7-11-22(23)25(31)28-18-17-19-9-5-4-6-10-19/h4-16,24H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)