4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]benzonitrile Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-25-18-8-7-17(13-19(18)26-2)27(23,24)22-11-9-21(10-12-22)16-5-3-15(14-20)4-6-16/h3-8,13H,9-12H2,1-2H3