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

Systemtic Name: 2-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepine-1-carboximidamide dihydrochloride Openeye Name: 2-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepine-1-carboxamidine dihydrochloride CAS Name: 2-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepine-1-carboximidamide dihydrochloride IUPAC Name: 2-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepine-1-carboximidamide dihydrochloride Traditional Name: 2-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepine-1-carboxamidine dihydrochloride Formula: C16H17Cl2N5O2S MolecularWeight: 414.30948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S.2ClH/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);2*1H