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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Formula: C23H26N2O6S MolecularWeight: 458.52734

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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)C4=CC=CC=C4)OC1

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c26-20(18-7-9-21-22(17-18)31-16-4-15-30-21)8-10-23(27)24-11-13-25(14-12-24)32(28,29)19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16H2