5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-(4-p-cumenylsulfonylpiperazino)benzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-15(2)16-3-6-19(7-4-16)29(27,28)23-11-9-22(10-12-23)20-8-5-18(24(25)26)13-17(20)14-21/h3-8,13,15H,9-12H2,1-2H3