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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-(4-ethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4-(4-ethylphenyl)butane-1,4-dione Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O6S/c1-2-19-4-6-20(7-5-19)22(28)9-11-25(29)26-12-14-27(15-13-26)34(30,31)21-8-10-23-24(18-21)33-17-3-16-32-23/h4-8,10,18H,2-3,9,11-17H2,1H3