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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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