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

Systemtic Name: 4-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-16(25)18-4-8-20(9-5-18)30(27,28)24-12-10-23(11-13-24)21(26)15-29-19-6-2-17(14-22)3-7-19/h2-9H,10-13,15H2,1H3