3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]sulfonylbenzonitrile Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C19H21N3O6S2/c1-27-18-7-6-17(13-19(18)28-2)30(25,26)22-10-8-21(9-11-22)29(23,24)16-5-3-4-15(12-16)14-20/h3-7,12-13H,8-11H2,1-2H3