1-[5-ethyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-fluoranyl-piperazine

Systemtic Name: 1-[5-ethyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-fluoranyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethyl-phenyl]-3-fluoro-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-fluoropiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-fluoropiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-ethyl-phenyl]-3-fluoro-piperazine Formula: C18H22FN3O4S2 MolecularWeight: 427.513383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C18H22FN3O4S2/c1-2-14-8-9-16(17(12-14)22-11-10-20-18(19)13-22)21-28(25,26)27(23,24)15-6-4-3-5-7-15/h3-9,12,18,20-21H,2,10-11,13H2,1H3