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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[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=C2C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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