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

Systemtic Name: N-[2-(hexylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride CAS Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride IUPAC Name: N-[2-(hexylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-[2-(hexylamino)ethyl]-1-keto-2H-isoquinoline-5-sulfonamide hydrochloride Formula: C17H26ClN3O3S MolecularWeight: 387.92464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S.ClH/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);1H