5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one hydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one hydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one hydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isocarbostyril hydrochloride Formula: C15H20ClN3O3S MolecularWeight: 357.8556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3.Cl

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3.Cl

InChI

InChI=1S/C15H19N3O3S.ClH/c1-11-10-17-15(19)12-4-2-5-13(14(11)12)22(20,21)18-8-3-6-16-7-9-18;/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,19);1H