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

Systemtic Name: N-hexyl-N-(1-oxidanylhexan-2-yl)isoquinoline-5-sulfonamide Openeye Name: N-hexyl-N-[1-(hydroxymethyl)pentyl]isoquinoline-5-sulfonamide CAS Name: N-hexyl-N-(1-hydroxyhexan-2-yl)-5-isoquinolinesulfonamide IUPAC Name: N-hexyl-N-(1-hydroxyhexan-2-yl)isoquinoline-5-sulfonamide Traditional Name: N-hexyl-N-(1-methylolpentyl)isoquinoline-5-sulfonamide Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3S/c1-3-5-7-8-15-23(19(17-24)11-6-4-2)27(25,26)21-12-9-10-18-16-22-14-13-20(18)21/h9-10,12-14,16,19,24H,3-8,11,15,17H2,1-2H3