2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(2-ethylbenzofuran-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(2-ethyl-3-benzofuranyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(2-ethylbenzofuran-3-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H23N3O4S/c1-2-21-20(19-8-4-5-9-22(19)31-21)11-12-24(28)26-13-15-27(16-14-26)32(29,30)23-10-6-3-7-18(23)17-25/h3-12H,2,13-16H2,1H3/b12-11+