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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N3O3S2/c19-13-16-3-1-2-4-17(16)26(23,24)21-10-8-20(9-11-21)18(22)6-5-15-7-12-25-14-15/h1-7,12,14H,8-11H2/b6-5+