N-[2-(hexylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(hexylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-[2-(hexylamino)ethyl]-1-keto-2H-isoquinoline-5-sulfonamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

Isomeric SMILES

CCCCCCNCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C17H25N3O3S/c1-2-3-4-5-10-18-12-13-20-24(22,23)16-8-6-7-15-14(16)9-11-19-17(15)21/h6-9,11,18,20H,2-5,10,12-13H2,1H3,(H,19,21)