N-[3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidinyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(1-hexyl-3,4-dimethylpiperidin-4-yl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidyl)phenyl]isoquinoline-5-sulfonamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C28H37N3O2S/c1-4-5-6-7-17-31-18-15-28(3,22(2)21-31)24-11-9-12-25(19-24)30-34(32,33)27-13-8-10-23-20-29-16-14-26(23)27/h8-14,16,19-20,22,30H,4-7,15,17-18,21H2,1-3H3