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

Systemtic Name: 2-[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,4-dimethoxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

InChI

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