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

Systemtic Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]piperazino]sulfonylbenzamide Formula: C23H25N3O6S MolecularWeight: 471.5261

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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(=O)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(=O)N)OC1

InChI

InChI=1S/C23H25N3O6S/c24-23(28)18-4-6-19(7-5-18)33(29,30)26-12-10-25(11-13-26)22(27)9-3-17-2-8-20-21(16-17)32-15-1-14-31-20/h2-9,16H,1,10-15H2,(H2,24,28)/b9-3+