1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-[(methylsulfanylperoxyamino)methyl]phenyl]sulfonyl-urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-[(methylsulfanylperoxyamino)methyl]phenyl]sulfonyl-urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-[(methylsulfanylperoxyamino)methyl]phenyl]sulfonyl-urea CAS Name: methanesulfenic acid [[3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-methylphenyl]methylamino]oxy ester IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-[(methylsulfanylperoxyamino)methyl]phenyl]sulfonylurea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-5-[[(methylthio)peroxyamino]methyl]phenyl]sulfonyl-urea Formula: C16H21N5O7S2 MolecularWeight: 459.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNOOSC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CNOOSC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H21N5O7S2/c1-10-5-6-11(9-17-27-28-29-4)7-12(10)30(23,24)21-16(22)20-15-18-13(25-2)8-14(19-15)26-3/h5-8,17H,9H2,1-4H3,(H2,18,19,20,21,22)