1-(1-azanylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine

Systemtic Name: 1-(1-azanylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Openeye Name: 1-[(1-amino-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine CAS Name: 1-[(1-amino-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine IUPAC Name: 1-(1-aminoisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Traditional Name: [2-amino-1-[(1-amino-5-isoquinolyl)sulfonyl]ethyl]-(3-phenylpropyl)amine Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c21-14-19(23-12-5-8-15-6-2-1-3-7-15)27(25,26)18-10-4-9-17-16(18)11-13-24-20(17)22/h1-4,6-7,9-11,13,19,23H,5,8,12,14,21H2,(H2,22,24)