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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one hydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one hydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one hydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril hydrochloride Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl

InChI

InChI=1S/C14H17N3O3S.ClH/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17;/h1,3-5,7,15H,2,6,8-10H2,(H,16,18);1H