N-(1-azanylheptan-4-yl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(1-azanylheptan-4-yl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(4-amino-1-propyl-butyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(1-aminoheptan-4-yl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(1-aminoheptan-4-yl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(4-amino-1-propyl-butyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C22H35N3O2S MolecularWeight: 405.5972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O2S/c1-3-5-6-7-17-25(20(10-4-2)12-9-15-23)28(26,27)22-13-8-11-19-18-24-16-14-21(19)22/h8,11,13-14,16,18,20H,3-7,9-10,12,15,17,23H2,1-2H3