3-methoxy-4-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethoxy]-3-methoxy-benzonitrile Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-29-21-15-19(16-23)7-8-20(21)30-17-22(26)24-10-12-25(13-11-24)31(27,28)14-9-18-5-3-2-4-6-18/h2-9,14-15H,10-13,17H2,1H3/b14-9+