2-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepine-1-carboximidamide

Systemtic Name: 2-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepine-1-carboximidamide Openeye Name: 2-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepine-1-carboxamidine CAS Name: 2-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepine-1-carboximidamide IUPAC Name: 2-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepine-1-carboximidamide Traditional Name: 2-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepine-1-carboxamidine Formula: C16H15N5O2S MolecularWeight: 341.3876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)C3=CN=CC=CN3C(=N)N

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)C3=CN=CC=CN3C(=N)N

InChI

InChI=1S/C16H15N5O2S/c1-11-8-20-9-12-4-2-5-13(15(11)12)24(22,23)14-10-19-6-3-7-21(14)16(17)18/h2-10H,1H3,(H3,17,18)