1-[[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]methyl]isoquinoline dihydrochloride

Systemtic Name: 1-[[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]methyl]isoquinoline dihydrochloride Openeye Name: 1-[[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]methyl]isoquinoline dihydrochloride CAS Name: 1-[[3-[(4-fluorophenyl)sulfonylmethyl]-1-azetidinyl]methyl]isoquinoline dihydrochloride IUPAC Name: 1-[[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]methyl]isoquinoline dihydrochloride Traditional Name: 1-[[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]methyl]isoquinoline dihydrochloride Formula: C20H21Cl2FN2O2S MolecularWeight: 443.362343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=NC=CC3=CC=CC=C32)CS(=O)(=O)C4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

C1C(CN1CC2=NC=CC3=CC=CC=C32)CS(=O)(=O)C4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C20H19FN2O2S.2ClH/c21-17-5-7-18(8-6-17)26(24,25)14-15-11-23(12-15)13-20-19-4-2-1-3-16(19)9-10-22-20;;/h1-10,15H,11-14H2;2*1H