N-(4-azanylbutyl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(4-azanylbutyl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(4-aminobutyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(4-aminobutyl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(4-aminobutyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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