1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]cinnolin-4-one Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5C(=O)C=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5C(=O)C=N4)OC1

InChI

InChI=1S/C23H24N4O6S/c28-20-15-24-27(19-5-2-1-4-18(19)20)16-23(29)25-8-10-26(11-9-25)34(30,31)17-6-7-21-22(14-17)33-13-3-12-32-21/h1-2,4-7,14-15H,3,8-13,16H2