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

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-5-nitro-benzonitrile Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O6S/c1-28-16-4-6-18(29-2)19(12-16)30(26,27)22-9-7-21(8-10-22)17-5-3-15(23(24)25)11-14(17)13-20/h3-6,11-12H,7-10H2,1-2H3