[4-ethyl-2-(3-fluoranylpiperazin-1-yl)phenyl]sulfamic acid

Systemtic Name: [4-ethyl-2-(3-fluoranylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [4-ethyl-2-(3-fluoropiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-ethyl-2-(3-fluoro-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-ethyl-2-(3-fluoropiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-ethyl-2-(3-fluoropiperazino)phenyl]sulfamic acid Formula: C12H18FN3O3S MolecularWeight: 303.353023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)F

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)F

InChI

InChI=1S/C12H18FN3O3S/c1-2-9-3-4-10(15-20(17,18)19)11(7-9)16-6-5-14-12(13)8-16/h3-4,7,12,14-15H,2,5-6,8H2,1H3,(H,17,18,19)