1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine

Systemtic Name: 1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Openeye Name: 1-[(4-methyl-5-isoquinolyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine CAS Name: 1-[(4-methyl-5-isoquinolinyl)sulfonyl]-N-(3-phenylpropyl)ethane-1,2-diamine IUPAC Name: 1-(4-methylisoquinolin-5-yl)sulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Traditional Name: [2-amino-1-[(4-methyl-5-isoquinolyl)sulfonyl]ethyl]-(3-phenylpropyl)amine Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16-14-23-15-18-10-5-11-19(21(16)18)27(25,26)20(13-22)24-12-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,14-15,20,24H,6,9,12-13,22H2,1H3