4-(furan-2-yl)benzenesulfonamide; 4-(3-methyl-4-methylidene-5-oxidanylidene-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(furan-2-yl)benzenesulfonamide; 4-(3-methyl-4-methylidene-5-oxidanylidene-pyrazol-1-yl)benzoic acid Openeye Name: 4-(2-furyl)benzenesulfonamide; 4-(3-methyl-4-methylene-5-oxo-pyrazol-1-yl)benzoic acid CAS Name: 4-(2-furanyl)benzenesulfonamide; 4-(3-methyl-4-methylene-5-oxo-1-pyrazolyl)benzoic acid IUPAC Name: 4-(furan-2-yl)benzenesulfonamide; 4-(3-methyl-4-methylidene-5-oxopyrazol-1-yl)benzoic acid Traditional Name: 4-(2-furyl)benzenesulfonamide; 4-(5-keto-3-methyl-4-methylene-2-pyrazolin-1-yl)benzoic acid Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)C(=O)O.C1=COC(=C1)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)C(=O)O.C1=COC(=C1)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H10N2O3.C10H9NO3S/c1-7-8(2)13-14(11(7)15)10-5-3-9(4-6-10)12(16)17;11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h3-6H,1H2,2H3,(H,16,17);1-7H,(H2,11,12,13)