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3-azanyl-1-heptan-4-yl-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name:	3-azanyl-1-heptan-4-yl-N-hexyl-isoquinoline-5-sulfonamide
Openeye Name:	3-amino-N-hexyl-1-(1-propylbutyl)isoquinoline-5-sulfonamide
CAS Name:	3-amino-1-heptan-4-yl-N-hexyl-5-isoquinolinesulfonamide
IUPAC Name:	3-amino-1-heptan-4-yl-N-hexylisoquinoline-5-sulfonamide
Traditional Name:	3-amino-N-hexyl-1-(1-propylbutyl)isoquinoline-5-sulfonamide
Formula:	C₂₂H₃₅N₃O₂S
MolecularWeight:	405.5972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)N)C(CCC)CCC

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC=CC2=C(N=C(C=C21)N)C(CCC)CCC

InChI

InChI=1S/C22H35N3O2S/c1-4-7-8-9-15-24-28(26,27)20-14-10-13-18-19(20)16-21(23)25-22(18)17(11-5-2)12-6-3/h10,13-14,16-17,24H,4-9,11-12,15H2,1-3H3,(H2,23,25)

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