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

Systemtic Name: 2-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]benzenesulfonic acid Openeye Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]benzenesulfonic acid CAS Name: 2-[4-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]phenyl]benzenesulfonic acid IUPAC Name: 2-[4-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]benzenesulfonic acid Traditional Name: 2-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]besylic acid Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)O)C=O)Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-2-3-8-20-23-21(22)18(14-25)24(20)13-15-9-11-16(12-10-15)17-6-4-5-7-19(17)29(26,27)28/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,26,27,28)