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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-ethyl-4-methyl-isoquinolin-1-one hydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-ethyl-4-methyl-isoquinolin-1-one hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-ethyl-4-methyl-1-isoquinolinone hydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-ethyl-4-methylisoquinolin-1-one hydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-ethyl-4-methyl-isocarbostyril hydrochloride Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C(C1=O)C=CC=C2S(=O)(=O)N3CCCNCC3)C.Cl

Isomeric SMILES

CCN1C=C(C2=C(C1=O)C=CC=C2S(=O)(=O)N3CCCNCC3)C.Cl

InChI

InChI=1S/C17H23N3O3S.ClH/c1-3-19-12-13(2)16-14(17(19)21)6-4-7-15(16)24(22,23)20-10-5-8-18-9-11-20;/h4,6-7,12,18H,3,5,8-11H2,1-2H3;1H