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

Systemtic Name: N-hexyl-N-(2-oxidanylidenedecyl)isoquinoline-5-sulfonamide Openeye Name: N-hexyl-N-(2-oxodecyl)isoquinoline-5-sulfonamide CAS Name: N-hexyl-N-(2-oxodecyl)-5-isoquinolinesulfonamide IUPAC Name: N-hexyl-N-(2-oxodecyl)isoquinoline-5-sulfonamide Traditional Name: N-hexyl-N-(2-ketodecyl)isoquinoline-5-sulfonamide Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3S/c1-3-5-7-9-10-11-15-23(28)21-27(19-12-8-6-4-2)31(29,30)25-16-13-14-22-20-26-18-17-24(22)25/h13-14,16-18,20H,3-12,15,19,21H2,1-2H3