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

Systemtic Name: 2-[4-[(2-butyl-5-cyano-4-methoxy-imidazol-1-yl)methyl]phenyl]benzenesulfonic acid Openeye Name: 2-[4-[(2-butyl-5-cyano-4-methoxy-imidazol-1-yl)methyl]phenyl]benzenesulfonic acid CAS Name: 2-[4-[(2-butyl-5-cyano-4-methoxy-1-imidazolyl)methyl]phenyl]benzenesulfonic acid IUPAC Name: 2-[4-[(2-butyl-5-cyano-4-methoxyimidazol-1-yl)methyl]phenyl]benzenesulfonic acid Traditional Name: 2-[4-[(2-butyl-5-cyano-4-methoxy-imidazol-1-yl)methyl]phenyl]besylic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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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#N)OC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)O)C#N)OC

InChI

InChI=1S/C22H23N3O4S/c1-3-4-9-21-24-22(29-2)19(14-23)25(21)15-16-10-12-17(13-11-16)18-7-5-6-8-20(18)30(26,27)28/h5-8,10-13H,3-4,9,15H2,1-2H3,(H,26,27,28)