N-hexyl-N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-hexyl-N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide Openeye Name: N-hexyl-N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide CAS Name: N-hexyl-N-[2-(hexylamino)propyl]-5-isoquinolinesulfonamide IUPAC Name: N-hexyl-N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide Traditional Name: N-hexyl-N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide Formula: C24H39N3O2S MolecularWeight: 433.65036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(C)CN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCNC(C)CN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C24H39N3O2S/c1-4-6-8-10-16-26-21(3)20-27(18-11-9-7-5-2)30(28,29)24-14-12-13-22-19-25-17-15-23(22)24/h12-15,17,19,21,26H,4-11,16,18,20H2,1-3H3