5-nitro-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-(4-mesitylsulfonylpiperazino)-5-nitro-benzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H22N4O4S/c1-14-10-15(2)20(16(3)11-14)29(27,28)23-8-6-22(7-9-23)19-5-4-18(24(25)26)12-17(19)13-21/h4-5,10-12H,6-9H2,1-3H3