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

Systemtic Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluoranyl-phenyl]ethanoate Openeye Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluoro-phenyl]acetate CAS Name: 2-[4-(1,4-diazepan-1-yl)-3-fluorophenyl]acetic acid sulfamoyl ester IUPAC Name: sulfamoyl 2-[4-(1,4-diazepan-1-yl)-3-fluorophenyl]acetate Traditional Name: 2-[4-(1,4-diazepan-1-yl)-3-fluoro-phenyl]acetic acid sulfamoyl ester Formula: C13H18FN3O4S MolecularWeight: 331.363123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O4S/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)