N-[[1-(4-fluorophenyl)sulfonyl-4-phenyl-piperidin-4-yl]methyl]isoquinolin-1-amine

Systemtic Name: N-[[1-(4-fluorophenyl)sulfonyl-4-phenyl-piperidin-4-yl]methyl]isoquinolin-1-amine Openeye Name: N-[[1-(4-fluorophenyl)sulfonyl-4-phenyl-4-piperidyl]methyl]isoquinolin-1-amine CAS Name: N-[[1-(4-fluorophenyl)sulfonyl-4-phenyl-4-piperidinyl]methyl]-1-isoquinolinamine IUPAC Name: N-[[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methyl]isoquinolin-1-amine Traditional Name: [1-(4-fluorophenyl)sulfonyl-4-phenyl-4-piperidyl]methyl-(1-isoquinolyl)amine Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN3O2S/c28-23-10-12-24(13-11-23)34(32,33)31-18-15-27(16-19-31,22-7-2-1-3-8-22)20-30-26-25-9-5-4-6-21(25)14-17-29-26/h1-14,17H,15-16,18-20H2,(H,29,30)