N-[2-(butylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(butylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-(butylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-[2-(butylamino)ethyl]-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-(butylamino)ethyl]-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-[2-(butylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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