3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,4-dimethoxyphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,4-dimethoxyphenyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-25-16-6-7-18(19(13-16)26-2)21-8-10-22(11-9-21)27(23,24)17-5-3-4-15(12-17)14-20/h3-7,12-13H,8-11H2,1-2H3