5-[(2,2-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride

Systemtic Name: 5-[(2,2-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride Openeye Name: 5-[(2,2-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride CAS Name: 5-[(2,2-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride IUPAC Name: 5-[(2,2-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride Traditional Name: 5-[(2,2-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:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3(C)C.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3(C)C.Cl

InChI

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