sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluoranyl-phenyl]ethanoate dihydrochloride

Systemtic Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluoranyl-phenyl]ethanoate dihydrochloride Openeye Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluoro-phenyl]acetate dihydrochloride CAS Name: 2-[4-(1,4-diazepan-1-yl)-3-fluorophenyl]acetic acid sulfamoyl ester dihydrochloride IUPAC Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluorophenyl]acetate dihydrochloride Traditional Name: 2-[4-(1,4-diazepan-1-yl)-3-fluoro-phenyl]acetic acid sulfamoyl ester dihydrochloride Formula: C13H20Cl2FN3O4S MolecularWeight: 404.285003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)CC(=O)OS(=O)(=O)N)F.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)CC(=O)OS(=O)(=O)N)F.Cl.Cl

InChI

InChI=1S/C13H18FN3O4S.2ClH/c14-11-8-10(9-13(18)21-22(15,19)20)2-3-12(11)17-6-1-4-16-5-7-17;;/h2-3,8,16H,1,4-7,9H2,(H2,15,19,20);2*1H