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

Systemtic Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-fluoranyl-piperazine Openeye Name: 1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-fluoro-piperazine CAS Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-fluoropiperazine IUPAC Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-fluoropiperazine Traditional Name: 1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-fluoro-piperazine Formula: C15H24FN3O4S2 MolecularWeight: 393.497163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24FN3O4S2/c1-4-12-5-6-13(18-25(22,23)24(20,21)11(2)3)14(9-12)19-8-7-17-15(16)10-19/h5-6,9,11,15,17-18H,4,7-8,10H2,1-3H3