phenyl (NE)-N-[1-[5-[(E)-C-methyl-N-phenoxyperoxysulfanyl-carbonimidoyl]-3H-pyrrol-2-yl]ethylidene]sulfamate

Systemtic Name: phenyl (NE)-N-[1-[5-[(E)-C-methyl-N-phenoxyperoxysulfanyl-carbonimidoyl]-3H-pyrrol-2-yl]ethylidene]sulfamate Openeye Name: phenyl (NE)-N-[1-[5-[(E)-C-methyl-N-phenoxyperoxysulfanyl-carbonimidoyl]-3H-pyrrol-2-yl]ethylidene]sulfamate CAS Name: (NE)-N-[1-[5-[(1E)-1-(phenoxydioxythio)iminoethyl]-3H-pyrrol-2-yl]ethylidene]sulfamic acid phenyl ester IUPAC Name: phenyl (NE)-N-[1-[5-[(E)-C-methyl-N-phenoxyperoxysulfanylcarbonimidoyl]-3H-pyrrol-2-yl]ethylidene]sulfamate Traditional Name: (NE)-N-[1-[5-[(E)-C-methyl-N-(phenoxyperoxythio)carbonimidoyl]-3H-pyrrol-2-yl]ethylidene]sulfamic acid phenyl ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NS(=O)(=O)OC1=CC=CC=C1)C2=NC(=CC2)C(=NSOOOC3=CC=CC=C3)C

Isomeric SMILES

C/C(=N\S(=O)(=O)OC1=CC=CC=C1)/C2=NC(=CC2)/C(=N/SOOOC3=CC=CC=C3)/C

InChI

InChI=1S/C20H19N3O6S2/c1-15(22-30-29-28-26-17-9-5-3-6-10-17)19-13-14-20(21-19)16(2)23-31(24,25)27-18-11-7-4-8-12-18/h3-13H,14H2,1-2H3/b22-15+,23-16+