4-(4-methylsulfonylpiperazin-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4-methylsulfonylpiperazin-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(4-methylsulfonylpiperazin-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(4-methylsulfonyl-1-piperazinyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(4-methylsulfonylpiperazin-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(4-mesylpiperazino)-5-nitro-phthalonitrile Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c1-23(21,22)17-4-2-16(3-5-17)12-6-10(8-14)11(9-15)7-13(12)18(19)20/h6-7H,2-5H2,1H3