1-(1-azanyl-4-methyl-isoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine

Systemtic Name: 1-(1-azanyl-4-methyl-isoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Openeye Name: 1-[(1-amino-4-methyl-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine CAS Name: 1-[(1-amino-4-methyl-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine IUPAC Name: 1-(1-amino-4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Traditional Name: [2-amino-1-[(1-amino-4-methyl-5-isoquinolyl)sulfonyl]ethyl]-(3-phenylpropyl)amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-15-14-25-21(23)17-10-5-11-18(20(15)17)28(26,27)19(13-22)24-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,19,24H,6,9,12-13,22H2,1H3,(H2,23,25)