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

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

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H25FN4O4S/c1-34(32,33)29(20-12-10-19(25)11-13-20)15-5-9-23(30)28-22-8-3-2-7-21(22)24(31)27-17-18-6-4-14-26-16-18/h2-4,6-8,10-14,16H,5,9,15,17H2,1H3,(H,27,31)(H,28,30)