4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C23H23N3O5S/c24-17-19-2-6-20(7-3-19)32(28,29)26-12-10-25(11-13-26)23(27)9-5-18-4-8-21-22(16-18)31-15-1-14-30-21/h2-9,16H,1,10-15H2/b9-5+