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

Systemtic Name: 2-[4-[2-(2,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-28-18-8-7-16(19(14-18)29-2)13-21(25)23-9-11-24(12-10-23)30(26,27)20-6-4-3-5-17(20)15-22/h3-8,14H,9-13H2,1-2H3