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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-fluoranylphenoxy)isoquinoline dihydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-fluorophenoxy)isoquinoline dihydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-fluorophenoxy)isoquinoline dihydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-fluorophenoxy)isoquinoline dihydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-fluorophenoxy)isoquinoline dihydrochloride Formula: C20H22Cl2FN3O3S MolecularWeight: 474.376383

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C20H20FN3O3S.2ClH/c21-16-5-7-17(8-6-16)27-18-14-23-13-15-3-1-4-19(20(15)18)28(25,26)24-11-2-9-22-10-12-24;;/h1,3-8,13-14,22H,2,9-12H2;2*1H