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

Systemtic Name: N-hexyl-N-(2-oxidanylidenebutyl)isoquinoline-5-sulfonamide Openeye Name: N-hexyl-N-(2-oxobutyl)isoquinoline-5-sulfonamide CAS Name: N-hexyl-N-(2-oxobutyl)-5-isoquinolinesulfonamide IUPAC Name: N-hexyl-N-(2-oxobutyl)isoquinoline-5-sulfonamide Traditional Name: N-hexyl-N-(2-ketobutyl)isoquinoline-5-sulfonamide Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(=O)CC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCN(CC(=O)CC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C19H26N2O3S/c1-3-5-6-7-13-21(15-17(22)4-2)25(23,24)19-10-8-9-16-14-20-12-11-18(16)19/h8-12,14H,3-7,13,15H2,1-2H3