4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(3,4,5-trimethoxyphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3,4,5-trimethoxyphenyl)piperazino]sulfonylbenzonitrile Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O5S/c1-26-18-12-16(13-19(27-2)20(18)28-3)22-8-10-23(11-9-22)29(24,25)17-6-4-15(14-21)5-7-17/h4-7,12-13H,8-11H2,1-3H3