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

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

C1CNCCC1(C2=CC=CC=C2)C(NC3=NC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CNCCC1(C2=CC=CC=C2)C(NC3=NC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)F

InChI

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