N-(3-azanylpropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-(3-azanylpropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3.Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3.Cl

InChI

InChI=1S/C18H21N3O2S2.ClH/c19-9-3-11-21(12-8-16-5-2-13-24-16)25(22,23)18-6-1-4-15-14-20-10-7-17(15)18;/h1-2,4-7,10,13-14H,3,8-9,11-12,19H2;1H