1-isoquinolin-5-ylsulfonyl-N-(4-phenylbutyl)propane-1,3-diamine hydrochloride

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N-(4-phenylbutyl)propane-1,3-diamine hydrochloride Openeye Name: 1-(5-isoquinolylsulfonyl)-N-(4-phenylbutyl)propane-1,3-diamine hydrochloride CAS Name: 1-(5-isoquinolinylsulfonyl)-N-(4-phenylbutyl)propane-1,3-diamine hydrochloride IUPAC Name: 1-isoquinolin-5-ylsulfonyl-N-(4-phenylbutyl)propane-1,3-diamine hydrochloride Traditional Name: [3-amino-1-(5-isoquinolylsulfonyl)propyl]-(4-phenylbutyl)amine hydrochloride Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

InChI

InChI=1S/C22H27N3O2S.ClH/c23-14-12-22(25-15-5-4-9-18-7-2-1-3-8-18)28(26,27)21-11-6-10-19-17-24-16-13-20(19)21;/h1-3,6-8,10-11,13,16-17,22,25H,4-5,9,12,14-15,23H2;1H