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

Systemtic Name: 5-[(6-fluoranyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline Openeye Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline CAS Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline IUPAC Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline Traditional Name: 5-[(6-fluoro-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline Formula: C15H18FN3O2S MolecularWeight: 323.385723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FN3O2S/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