3-ethoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethoxy]benzonitrile Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O6S/c1-3-30-21-14-17(15-23)4-9-20(21)31-16-22(26)24-10-12-25(13-11-24)32(27,28)19-7-5-18(29-2)6-8-19/h4-9,14H,3,10-13,16H2,1-2H3