N-(2-azanyloctyl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanyloctyl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminooctyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(2-aminooctyl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminooctyl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(2-aminooctyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C23H37N3O2S MolecularWeight: 419.62378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)N

Isomeric SMILES

CCCCCCC(CN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)N

InChI

InChI=1S/C23H37N3O2S/c1-3-5-7-9-13-21(24)19-26(17-10-8-6-4-2)29(27,28)23-14-11-12-20-18-25-16-15-22(20)23/h11-12,14-16,18,21H,3-10,13,17,19,24H2,1-2H3