1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine

Systemtic Name: 1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Openeye Name: 1-[(4-methyl-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine CAS Name: 1-[(4-methyl-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine IUPAC Name: 1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Traditional Name: [3-amino-1-[(4-methyl-5-isoquinolyl)sulfonyl]propyl]-(3-phenylpropyl)amine Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-17-15-24-16-19-10-5-11-20(22(17)19)28(26,27)21(12-13-23)25-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,15-16,21,25H,6,9,12-14,23H2,1H3