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

Systemtic Name: N-(2-azanyldecyl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminodecyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(2-aminodecyl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminodecyl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(2-aminodecyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C25H41N3O2S MolecularWeight: 447.67694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O2S/c1-3-5-7-9-10-11-15-23(26)21-28(19-12-8-6-4-2)31(29,30)25-16-13-14-22-20-27-18-17-24(22)25/h13-14,16-18,20,23H,3-12,15,19,21,26H2,1-2H3