3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-(4-benzylsulfonylpiperazino)-2-keto-ethoxy]benzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c21-14-18-7-4-8-19(13-18)27-15-20(24)22-9-11-23(12-10-22)28(25,26)16-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2