4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

Systemtic Name: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide Openeye Name: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide CAS Name: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide IUPAC Name: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide Traditional Name: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide Formula: C21H25FN4O3S MolecularWeight: 432.511603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=C(C=C2)F)CC3=NC=NN3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=C(C=C2)F)CC3=NC=NN3

InChI

InChI=1S/C21H25FN4O3S/c1-2-3-14-29-19-8-10-20(11-9-19)30(27,28)26(15-21-23-16-24-25-21)13-12-17-4-6-18(22)7-5-17/h4-11,16H,2-3,12-15H2,1H3,(H,23,24,25)