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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H28N2O6S/c1-18-3-6-20(7-4-18)33(29,30)26-13-11-25(12-14-26)24(28)10-8-21(27)19-5-9-22-23(17-19)32-16-2-15-31-22/h3-7,9,17H,2,8,10-16H2,1H3