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

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

CCC1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl

Isomeric SMILES

CCC1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl

InChI

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