5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride

Systemtic Name: 5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride Openeye Name: 5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride CAS Name: 5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride IUPAC Name: 5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride Traditional Name: 5-[(3,5-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride Formula: C17H24ClN3O2S MolecularWeight: 369.90936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(N1)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl

Isomeric SMILES

CC1CCN(CC(N1)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl

InChI

InChI=1S/C17H23N3O2S.ClH/c1-12-9-18-10-15-5-4-6-16(17(12)15)23(21,22)20-8-7-13(2)19-14(3)11-20;/h4-6,9-10,13-14,19H,7-8,11H2,1-3H3;1H