3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-(4-besylpiperazino)-2-keto-ethoxy]benzonitrile Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c20-14-16-5-4-6-17(13-16)26-15-19(23)21-9-11-22(12-10-21)27(24,25)18-7-2-1-3-8-18/h1-8,13H,9-12,15H2