3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-5-nitro-benzenecarbonitrile

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-5-nitro-benzenecarbonitrile Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-5-nitro-benzonitrile CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-methyl-5-nitrobenzonitrile IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-5-nitrobenzonitrile Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-methyl-5-nitro-benzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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