N-(3-phenylpropyl)-N-piperidin-4-yl-isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-(3-phenylpropyl)-N-piperidin-4-yl-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(3-phenylpropyl)-N-(4-piperidyl)isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(3-phenylpropyl)-N-(4-piperidinyl)-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(3-phenylpropyl)-N-piperidin-4-ylisoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(3-phenylpropyl)-N-(4-piperidyl)isoquinoline-5-sulfonamide hydrochloride Formula: C23H28ClN3O2S MolecularWeight: 446.00532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl

Isomeric SMILES

C1CNCCC1N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl

InChI

InChI=1S/C23H27N3O2S.ClH/c27-29(28,23-10-4-9-20-18-25-16-13-22(20)23)26(21-11-14-24-15-12-21)17-5-8-19-6-2-1-3-7-19;/h1-4,6-7,9-10,13,16,18,21,24H,5,8,11-12,14-15,17H2;1H