N-(1-azanylhexan-2-yl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(1-azanylhexan-2-yl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-(aminomethyl)pentyl]-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(1-aminohexan-2-yl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(1-aminohexan-2-yl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-[1-(aminomethyl)pentyl]-N-hexyl-isoquinoline-5-sulfonamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2S/c1-3-5-7-8-15-24(19(16-22)11-6-4-2)27(25,26)21-12-9-10-18-17-23-14-13-20(18)21/h9-10,12-14,17,19H,3-8,11,15-16,22H2,1-2H3