4-[4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-besylpiperazino)-2-keto-ethoxy]phenyl]benzonitrile Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c26-18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)32-19-25(29)27-14-16-28(17-15-27)33(30,31)24-4-2-1-3-5-24/h1-13H,14-17,19H2