N-[1-[4-(4-fluorophenyl)sulfanylbutyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[4-(4-fluorophenyl)sulfanylbutyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[4-(4-fluorophenyl)sulfanylbutyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[4-[(4-fluorophenyl)thio]butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(4-fluorophenyl)sulfanylbutyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[4-[(4-fluorophenyl)thio]butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H30FN3O2S2 MolecularWeight: 487.653003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C1CCN(CC1)CCCCSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3O2S2/c1-28(33(30,31)25-6-4-5-20-19-27-14-11-24(20)25)22-12-16-29(17-13-22)15-2-3-18-32-23-9-7-21(26)8-10-23/h4-11,14,19,22H,2-3,12-13,15-18H2,1H3