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

Systemtic Name: 1-(1-azanylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Openeye Name: 1-[(1-amino-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine CAS Name: 1-[(1-amino-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)propane-1,3-diamine IUPAC Name: 1-(1-aminoisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)propane-1,3-diamine Traditional Name: [3-amino-1-[(1-amino-5-isoquinolyl)sulfonyl]propyl]-(3-phenylpropyl)amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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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=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

InChI

InChI=1S/C21H26N4O2S/c22-13-11-20(24-14-5-8-16-6-2-1-3-7-16)28(26,27)19-10-4-9-18-17(19)12-15-25-21(18)23/h1-4,6-7,9-10,12,15,20,24H,5,8,11,13-14,22H2,(H2,23,25)