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

Systemtic Name: 2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(2-thienyl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxo-4-thiophen-2-ylbutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(2-thienyl)butanoyl]piperazino]sulfonylbenzonitrile Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O3S2/c20-15-16-5-1-2-8-18(16)27(24,25)22-12-10-21(11-13-22)19(23)9-3-6-17-7-4-14-26-17/h1-2,4-5,7-8,14H,3,6,9-13H2