4-[2-butoxy-6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)pyridin-4-yl]benzenesulfonamide

Systemtic Name: 4-[2-butoxy-6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)pyridin-4-yl]benzenesulfonamide Openeye Name: 4-[2-butoxy-6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-pyridyl]benzenesulfonamide CAS Name: 4-[2-butoxy-6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-pyridinyl]benzenesulfonamide IUPAC Name: 4-[2-butoxy-6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)pyridin-4-yl]benzenesulfonamide Traditional Name: 4-[2-butoxy-6-(4-fluorobenzyl)-3-methylol-4-pyridyl]benzenesulfonamide Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=N1)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)CO

Isomeric SMILES

CCCCOC1=C(C(=CC(=N1)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)CO

InChI

InChI=1S/C23H25FN2O4S/c1-2-3-12-30-23-22(15-27)21(17-6-10-20(11-7-17)31(25,28)29)14-19(26-23)13-16-4-8-18(24)9-5-16/h4-11,14,27H,2-3,12-13,15H2,1H3,(H2,25,28,29)