N-(4-azanylbutyl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(4-azanylbutyl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-(4-aminobutyl)-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(4-aminobutyl)-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(4-aminobutyl)-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(4-aminobutyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CNC2=O)C(=C1)S(=O)(=O)NCCCCN

Isomeric SMILES

C1=CC2=C(C=CNC2=O)C(=C1)S(=O)(=O)NCCCCN

InChI

InChI=1S/C13H17N3O3S/c14-7-1-2-8-16-20(18,19)12-5-3-4-11-10(12)6-9-15-13(11)17/h3-6,9,16H,1-2,7-8,14H2,(H,15,17)