3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]sulfonylbenzoic acid Formula: C19H20N2O8S2 MolecularWeight: 468.5007

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H20N2O8S2/c22-19(23)14-2-1-3-15(12-14)30(24,25)20-6-8-21(9-7-20)31(26,27)16-4-5-17-18(13-16)29-11-10-28-17/h1-5,12-13H,6-11H2,(H,22,23)