2-[4-[[4-chloranyl-5-methanoyl-2-(4-propan-2-ylphenyl)imidazol-1-yl]methyl]phenyl]benzenesulfonic acid

Systemtic Name: 2-[4-[[4-chloranyl-5-methanoyl-2-(4-propan-2-ylphenyl)imidazol-1-yl]methyl]phenyl]benzenesulfonic acid Openeye Name: 2-[4-[[4-chloro-5-formyl-2-(4-isopropylphenyl)imidazol-1-yl]methyl]phenyl]benzenesulfonic acid CAS Name: 2-[4-[[4-chloro-5-formyl-2-(4-propan-2-ylphenyl)-1-imidazolyl]methyl]phenyl]benzenesulfonic acid IUPAC Name: 2-[4-[[4-chloro-5-formyl-2-(4-propan-2-ylphenyl)imidazol-1-yl]methyl]phenyl]benzenesulfonic acid Traditional Name: 2-[4-[(4-chloro-5-formyl-2-p-cumenyl-imidazol-1-yl)methyl]phenyl]besylic acid Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O)C=O)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)O)C=O)Cl

InChI

InChI=1S/C26H23ClN2O4S/c1-17(2)19-11-13-21(14-12-19)26-28-25(27)23(16-30)29(26)15-18-7-9-20(10-8-18)22-5-3-4-6-24(22)34(31,32)33/h3-14,16-17H,15H2,1-2H3,(H,31,32,33)