5-[(6-fluoranyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride

Systemtic Name: 5-[(6-fluoranyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride Openeye Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride CAS Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride IUPAC Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline hydrochloride Traditional Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline hydrochloride Formula: C15H19ClFN3O2S MolecularWeight: 359.846663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCNCC(C3)F.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCNCC(C3)F.Cl

InChI

InChI=1S/C15H18FN3O2S.ClH/c1-11-7-18-8-12-3-2-4-14(15(11)12)22(20,21)19-6-5-17-9-13(16)10-19;/h2-4,7-8,13,17H,5-6,9-10H2,1H3;1H