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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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