N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[(E)-styryl]sulfonylpiperazino]acetamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H27N3O5S/c27-23(24-20-7-8-21-22(17-20)31-15-4-14-30-21)18-25-10-12-26(13-11-25)32(28,29)16-9-19-5-2-1-3-6-19/h1-3,5-9,16-17H,4,10-15,18H2,(H,24,27)/b16-9+