1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-thienylsulfonyl)piperazino]butane-1,4-dione Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O6S2/c23-16(15-3-5-17-18(14-15)28-12-11-27-17)4-6-19(24)21-7-9-22(10-8-21)30(25,26)20-2-1-13-29-20/h1-3,5,13-14H,4,6-12H2