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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-5-nitro-benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-14-3-6-19(15(2)11-14)28(26,27)22-9-7-21(8-10-22)18-5-4-17(23(24)25)12-16(18)13-20/h3-6,11-12H,7-10H2,1-2H3