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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-veratrylpiperazino)sulfonylbenzonitrile Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

InChI

InChI=1S/C20H23N3O4S/c1-26-18-8-7-16(13-19(18)27-2)15-22-9-11-23(12-10-22)28(24,25)20-6-4-3-5-17(20)14-21/h3-8,13H,9-12,15H2,1-2H3