methyl 2-[4-[[2-butyl-5-ethylsulfonyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[2-butyl-5-ethylsulfonyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-5-ethylsulfonyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-ethylsulfonyl-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-5-ethylsulfonyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-5-esyl-4-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)S(=O)(=O)CC)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)S(=O)(=O)CC)CO

InChI

InChI=1S/C25H30N2O5S/c1-4-6-11-23-26-22(17-28)24(33(30,31)5-2)27(23)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(29)32-3/h7-10,12-15,28H,4-6,11,16-17H2,1-3H3