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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H28FN3O4S/c1-35(33,34)30(22-15-13-21(27)14-16-22)19-7-12-25(31)29-24-11-6-5-10-23(24)26(32)28-18-17-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)