1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H28N2O6S/c27-21(20-7-9-22-23(17-20)32-16-4-15-31-22)8-10-24(28)25-11-13-26(14-12-25)33(29,30)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2