N-(2-azanylbutyl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylbutyl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminobutyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(2-aminobutyl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminobutyl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(2-aminobutyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(CC)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCN(CC(CC)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C19H29N3O2S/c1-3-5-6-7-13-22(15-17(20)4-2)25(23,24)19-10-8-9-16-14-21-12-11-18(16)19/h8-12,14,17H,3-7,13,15,20H2,1-2H3