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

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)propane-1,3-diamine hydrochloride Openeye Name: 1-(5-isoquinolylsulfonyl)-N-(3-phenylpropyl)propane-1,3-diamine hydrochloride CAS Name: 1-(5-isoquinolinylsulfonyl)-N-(3-phenylpropyl)propane-1,3-diamine hydrochloride IUPAC Name: 1-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)propane-1,3-diamine hydrochloride Traditional Name: [3-amino-1-(5-isoquinolylsulfonyl)propyl]-(3-phenylpropyl)amine hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S.ClH/c22-13-11-21(24-14-5-8-17-6-2-1-3-7-17)27(25,26)20-10-4-9-18-16-23-15-12-19(18)20;/h1-4,6-7,9-10,12,15-16,21,24H,5,8,11,13-14,22H2;1H