5-(1,4-diazepan-1-ylsulfonyl)-4-fluoranyl-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoranyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoro-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoroisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoroisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoro-isoquinoline Formula: C14H16FN3O2S MolecularWeight: 309.359143

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F

InChI

InChI=1S/C14H16FN3O2S/c15-12-10-17-9-11-3-1-4-13(14(11)12)21(19,20)18-7-2-5-16-6-8-18/h1,3-4,9-10,16H,2,5-8H2