4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2,5-dimethoxybenzyl)piperazino]sulfonylbenzonitrile Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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