2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(2-furoyl)piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)OC(C)(C)C(=O)O

InChI

InChI=1S/C20H24N2O7S/c1-14-13-15(6-7-16(14)29-20(2,3)19(24)25)30(26,27)22-10-8-21(9-11-22)18(23)17-5-4-12-28-17/h4-7,12-13H,8-11H2,1-3H3,(H,24,25)