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

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

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