1-butyl-N-(2-oxidanylideneoctyl)isoquinoline-5-sulfonamide

Systemtic Name: 1-butyl-N-(2-oxidanylideneoctyl)isoquinoline-5-sulfonamide Openeye Name: 1-butyl-N-(2-oxooctyl)isoquinoline-5-sulfonamide CAS Name: 1-butyl-N-(2-oxooctyl)-5-isoquinolinesulfonamide IUPAC Name: 1-butyl-N-(2-oxooctyl)isoquinoline-5-sulfonamide Traditional Name: 1-butyl-N-(2-ketooctyl)isoquinoline-5-sulfonamide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2CCCC

Isomeric SMILES

CCCCCCC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2CCCC

InChI

InChI=1S/C21H30N2O3S/c1-3-5-7-8-10-17(24)16-23-27(25,26)21-13-9-11-18-19(21)14-15-22-20(18)12-6-4-2/h9,11,13-15,23H,3-8,10,12,16H2,1-2H3