N-[2-chloranyl-4-fluoranyl-5-(5-oxidanylidene-4-prop-2-enyl-1,2,3,4-tetrazolidin-1-yl)phenyl]-N-ethylsulfonyl-ethanesulfonamide

Systemtic Name: N-[2-chloranyl-4-fluoranyl-5-(5-oxidanylidene-4-prop-2-enyl-1,2,3,4-tetrazolidin-1-yl)phenyl]-N-ethylsulfonyl-ethanesulfonamide Openeye Name: N-[5-(4-allyl-5-oxo-tetrazolidin-1-yl)-2-chloro-4-fluoro-phenyl]-N-ethylsulfonyl-ethanesulfonamide CAS Name: N-[2-chloro-4-fluoro-5-(5-oxo-4-prop-2-enyl-1-tetrazolidinyl)phenyl]-N-ethylsulfonylethanesulfonamide IUPAC Name: N-[2-chloro-4-fluoro-5-(5-oxo-4-prop-2-enyltetrazolidin-1-yl)phenyl]-N-ethylsulfonylethanesulfonamide Traditional Name: N-[5-(4-allyl-5-keto-tetrazolidin-1-yl)-2-chloro-4-fluoro-phenyl]-N-esyl-ethanesulfonamide Formula: C14H19ClFN5O5S2 MolecularWeight: 455.912563

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C1=C(C=C(C(=C1)N2C(=O)N(NN2)CC=C)F)Cl)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)N(C1=C(C=C(C(=C1)N2C(=O)N(NN2)CC=C)F)Cl)S(=O)(=O)CC

InChI

InChI=1S/C14H19ClFN5O5S2/c1-4-7-19-14(22)20(18-17-19)13-9-12(10(15)8-11(13)16)21(27(23,24)5-2)28(25,26)6-3/h4,8-9,17-18H,1,5-7H2,2-3H3