2-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 2-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethoxy]benzonitrile IUPAC Name: 2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 2-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethoxy]benzonitrile Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O4S2/c18-12-14-4-1-2-5-15(14)24-13-16(21)19-7-9-20(10-8-19)26(22,23)17-6-3-11-25-17/h1-6,11H,7-10,13H2