3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(2-furoyl)piperazino]sulfonyl-4-methyl-benzoic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-12-4-5-13(17(21)22)11-15(12)26(23,24)19-8-6-18(7-9-19)16(20)14-3-2-10-25-14/h2-5,10-11H,6-9H2,1H3,(H,21,22)