2-[4-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(5-phenyl-2-thienyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-1-oxo-3-(5-phenyl-2-thiophenyl)prop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(5-phenyl-2-thienyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(S2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H21N3O3S2/c25-18-20-8-4-5-9-23(20)32(29,30)27-16-14-26(15-17-27)24(28)13-11-21-10-12-22(31-21)19-6-2-1-3-7-19/h1-13H,14-17H2/b13-11+