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

Systemtic Name: 3-methoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethoxy]-3-methoxy-benzonitrile Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OC

InChI

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