N-[5-(hydroxymethyl)-8-pyridin-3-yl-octyl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[5-(hydroxymethyl)-8-pyridin-3-yl-octyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[5-(hydroxymethyl)-8-(3-pyridyl)octyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[5-(hydroxymethyl)-8-(3-pyridinyl)octyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[5-(hydroxymethyl)-8-pyridin-3-yloctyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[5-methylol-8-(3-pyridyl)octyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C21H27F3N2O3S MolecularWeight: 444.51089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CO

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CO

InChI

InChI=1S/C21H27F3N2O3S/c22-21(23,24)19-9-11-20(12-10-19)30(28,29)26-14-2-1-5-18(16-27)7-3-6-17-8-4-13-25-15-17/h4,8-13,15,18,26-27H,1-3,5-7,14,16H2