2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazino]sulfonylbenzonitrile Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N3O4S2/c20-14-15-4-1-2-6-18(15)28(25,26)22-11-9-21(10-12-22)19(24)8-7-16(23)17-5-3-13-27-17/h1-6,13H,7-12H2