2-[[4-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[5-(2-ethoxy-2-oxo-ethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[5-(2-ethoxy-2-oxoethoxy)-1-methyl-3-propyl-4-pyrazolyl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[5-(2-ethoxy-2-oxoethoxy)-1-methyl-3-propylpyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[[5-(2-ethoxy-2-keto-ethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]besylic acid Formula: C25H29N3O7S MolecularWeight: 515.57866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCC(=O)OCC)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCC(=O)OCC)C

InChI

InChI=1S/C25H29N3O7S/c1-4-8-21-20(25(28(3)27-21)35-16-23(29)34-5-2)15-17-11-13-18(14-12-17)26-24(30)19-9-6-7-10-22(19)36(31,32)33/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,26,30)(H,31,32,33)