4-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[[5-(4-isopropoxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[[5-[4-[oxo(propan-2-yloxy)methyl]phenyl]-2-furanyl]methylidene]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[[5-(4-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-[[5-(4-isopropoxycarbonylphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C25H22N2O7S MolecularWeight: 494.51638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C25H22N2O7S/c1-15(2)33-25(29)18-6-4-17(5-7-18)23-13-10-20(34-23)14-22-16(3)26-27(24(22)28)19-8-11-21(12-9-19)35(30,31)32/h4-15H,1-3H3,(H,30,31,32)/b22-14-