2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[2-(4-fluoro-N-mesyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C24H25FN4O4S MolecularWeight: 484.543103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C24H25FN4O4S/c1-3-22(29(34(2,32)33)19-12-10-18(25)11-13-19)24(31)28-21-9-5-4-8-20(21)23(30)27-16-17-7-6-14-26-15-17/h4-15,22H,3,16H2,1-2H3,(H,27,30)(H,28,31)