1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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