N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]isoquinoline-5-sulfonamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC2C(C1)C2(C)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CCCCCCN1CC2C(C1)C2(C)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H33N3O2S/c1-3-4-5-6-15-30-18-24-25(19-30)27(24,2)21-10-8-11-22(16-21)29-33(31,32)26-12-7-9-20-17-28-14-13-23(20)26/h7-14,16-17,24-25,29H,3-6,15,18-19H2,1-2H3