2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O6S/c1-28-17-7-8-19(29-2)20(13-17)31(26,27)24-11-9-23(10-12-24)21(25)15-30-18-6-4-3-5-16(18)14-22/h3-8,13H,9-12,15H2,1-2H3