calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanidyl-propanimidate

Systemtic Name: calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanidyl-propanimidate Openeye Name: calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxido-propanimidate CAS Name: calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidopropanimidate IUPAC Name: calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidopropanimidate Traditional Name: calcium N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxido-propionimidate Formula: C18H12CaF4N2O4S MolecularWeight: 468.435493

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=NC2=CC(=C(C=C2)C#N)C(F)(F)F)[O-])[O-].[Ca+2]

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=NC2=CC(=C(C=C2)C#N)C(F)(F)F)[O-])[O-].[Ca+2]

InChI

InChI=1S/C18H13F4N2O4S.Ca/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22;/h2-8H,10H2,1H3,(H,24,25);/q-1;+2/p-1