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

Systemtic Name: 2-[4-(2,3-dimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2,3-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-o-veratroylpiperazino)sulfonylbenzonitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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