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

Systemtic Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid CAS Name: 3-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]sulfonylphenyl]acrylic acid Formula: C21H22N2O8S2 MolecularWeight: 494.53798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O8S2/c24-21(25)8-3-16-1-4-17(5-2-16)32(26,27)22-9-11-23(12-10-22)33(28,29)18-6-7-19-20(15-18)31-14-13-30-19/h1-8,15H,9-14H2,(H,24,25)