(E)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-oxidanylidene-ethyl]-oxidanidyl-azanium

Systemtic Name: (E)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-oxidanylidene-ethyl]-oxidanidyl-azanium Openeye Name: (E)-[2-[2-isopropyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-oxo-ethyl]-methoxyimino-oxido-ammonium CAS Name: (E)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-oxoethyl]-oxidoammonium IUPAC Name: (E)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-oxoethyl]-oxidoazanium Traditional Name: (E)-[2-(2-isopropyl-3-tosyl-hexahydropyrimidin-1-yl)-2-keto-ethyl]-methyloximino-oxido-ammonium Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)C[N+](=NOC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)C/[N+](=N\OC)/[O-]

InChI

InChI=1S/C17H26N4O5S/c1-13(2)17-19(16(22)12-21(23)18-26-4)10-5-11-20(17)27(24,25)15-8-6-14(3)7-9-15/h6-9,13,17H,5,10-12H2,1-4H3/b21-18+