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

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-27-18-7-6-17(13-19(18)28-2)29(25,26)23-10-8-22(9-11-23)20(24)16-5-3-4-15(12-16)14-21/h3-7,12-13H,8-11H2,1-2H3