N-(5-azanylpentan-2-yl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(5-azanylpentan-2-yl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(4-amino-1-methyl-butyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(5-aminopentan-2-yl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(5-aminopentan-2-yl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(4-amino-1-methyl-butyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-3-4-5-6-15-23(17(2)9-8-13-21)26(24,25)20-11-7-10-18-16-22-14-12-19(18)20/h7,10-12,14,16-17H,3-6,8-9,13,15,21H2,1-2H3