1-(1-azanyl-4-methyl-isoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine

Systemtic Name: 1-(1-azanyl-4-methyl-isoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Openeye Name: 1-[(1-amino-4-methyl-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine CAS Name: 1-[(1-amino-4-methyl-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine IUPAC Name: 1-(1-amino-4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Traditional Name: [3-amino-1-[(1-amino-4-methyl-5-isoquinolyl)sulfonyl]propyl]-(3-phenylpropyl)amine Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H28N4O2S/c1-16-15-26-22(24)18-10-5-11-19(21(16)18)29(27,28)20(12-13-23)25-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,20,25H,6,9,12-14,23H2,1H3,(H2,24,26)