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

Systemtic Name: 2-[2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(3,4-diethoxyphenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)OCC

InChI

InChI=1S/C23H27N3O6S/c1-3-30-21-10-9-19(15-22(21)31-4-2)33(28,29)26-13-11-25(12-14-26)23(27)17-32-20-8-6-5-7-18(20)16-24/h5-10,15H,3-4,11-14,17H2,1-2H3