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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-keto-2-(4-tosylpiperazino)ethoxy]benzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O4S/c1-16-6-8-18(9-7-16)28(25,26)23-12-10-22(11-13-23)20(24)15-27-19-5-3-2-4-17(19)14-21/h2-9H,10-13,15H2,1H3