phenyl (NE)-N-[[1-methyl-5-[(E)-phenoxyperoxysulfanyliminomethyl]pyrrol-2-yl]methylidene]sulfamate

Systemtic Name: phenyl (NE)-N-[[1-methyl-5-[(E)-phenoxyperoxysulfanyliminomethyl]pyrrol-2-yl]methylidene]sulfamate Openeye Name: phenyl (NE)-N-[[1-methyl-5-[(E)-phenoxyperoxysulfanyliminomethyl]pyrrol-2-yl]methylene]sulfamate CAS Name: (NE)-N-[[1-methyl-5-[(E)-(phenoxydioxythio)iminomethyl]-2-pyrrolyl]methylidene]sulfamic acid phenyl ester IUPAC Name: phenyl (NE)-N-[[1-methyl-5-[(E)-phenoxyperoxysulfanyliminomethyl]pyrrol-2-yl]methylidene]sulfamate Traditional Name: (NE)-N-[[1-methyl-5-[(E)-(phenoxyperoxythio)iminomethyl]pyrrol-2-yl]methylene]sulfamic acid phenyl ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C=NS(=O)(=O)OC2=CC=CC=C2)C=NSOOOC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC=C1/C=N/S(=O)(=O)OC2=CC=CC=C2)/C=N/SOOOC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O6S2/c1-22-16(14-20-29-28-27-25-18-8-4-2-5-9-18)12-13-17(22)15-21-30(23,24)26-19-10-6-3-7-11-19/h2-15H,1H3/b20-14+,21-15+