3-[bis(fluoranyl)methyl]-N-butyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-N-butyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-butyl-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-butyl-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-butyl-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-butyl-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C14H20F2N2O2S MolecularWeight: 318.382606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(CC(NC2)C(F)F)C=C1

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(CC(NC2)C(F)F)C=C1

InChI

InChI=1S/C14H20F2N2O2S/c1-2-3-6-18-21(19,20)12-5-4-10-8-13(14(15)16)17-9-11(10)7-12/h4-5,7,13-14,17-18H,2-3,6,8-9H2,1H3