[2,5-bis(fluoranyl)-4-(4-phenethylpiperazin-1-yl)phenyl] sulfamate

Systemtic Name: [2,5-bis(fluoranyl)-4-(4-phenethylpiperazin-1-yl)phenyl] sulfamate Openeye Name: [2,5-difluoro-4-(4-phenethylpiperazin-1-yl)phenyl] sulfamate CAS Name: sulfamic acid [2,5-difluoro-4-(4-phenethyl-1-piperazinyl)phenyl] ester IUPAC Name: [2,5-difluoro-4-(4-phenethylpiperazin-1-yl)phenyl] sulfamate Traditional Name: sulfamic acid [2,5-difluoro-4-(4-phenethylpiperazino)phenyl] ester Formula: C18H21F2N3O3S MolecularWeight: 397.439446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=CC(=C(C=C3F)OS(=O)(=O)N)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=CC(=C(C=C3F)OS(=O)(=O)N)F

InChI

InChI=1S/C18H21F2N3O3S/c19-15-13-18(26-27(21,24)25)16(20)12-17(15)23-10-8-22(9-11-23)7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,21,24,25)