5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-methyl-5-phenyl-1-pyrazolyl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-methyl-5-phenylpyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-phenoxy-besylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-16-14-20(17-8-4-2-5-9-17)24(23-16)18-12-13-21(22(15-18)29(25,26)27)28-19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,27)