2-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(2-thienyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxo-3-thiophen-2-ylprop-2-enyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(2-thienyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N3O3S2/c19-14-15-4-1-2-6-17(15)26(23,24)21-11-9-20(10-12-21)18(22)8-7-16-5-3-13-25-16/h1-8,13H,9-12H2