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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C21H24N2O6S2/c24-17(20-3-1-14-30-20)5-7-21(25)22-8-10-23(11-9-22)31(26,27)16-4-6-18-19(15-16)29-13-2-12-28-18/h1,3-4,6,14-15H,2,5,7-13H2