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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoranyl-isoquinoline dihydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoro-isoquinoline dihydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoroisoquinoline dihydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoroisoquinoline dihydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-fluoro-isoquinoline dihydrochloride Formula: C14H18Cl2FN3O2S MolecularWeight: 382.281023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN3O2S.2ClH/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;2*1H