2-[4-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,4-diketo-1,3-dimethyl-pyrimidin-5-yl)sulfonylpiperazino]sulfonylbenzonitrile Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H19N5O6S2/c1-19-12-15(16(23)20(2)17(19)24)30(27,28)22-9-7-21(8-10-22)29(25,26)14-6-4-3-5-13(14)11-18/h3-6,12H,7-10H2,1-2H3