sodium N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]sulfamate

Systemtic Name: sodium N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(3-fluorobenzyl)piperazino]phenyl]sulfamate Formula: C17H19FN3NaO3S MolecularWeight: 387.404233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H20FN3O3S.Na/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)17-6-4-16(5-7-17)19-25(22,23)24;/h1-7,12,19H,8-11,13H2,(H,22,23,24);/q;+1/p-1