2-[[3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl]benzoate

Systemtic Name: 2-[[3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl]benzoate Openeye Name: 2-[[3-(p-tolylsulfonyl)imidazol-4-yl]methyl]benzoate CAS Name: 2-[[3-(4-methylphenyl)sulfonyl-4-imidazolyl]methyl]benzoate IUPAC Name: 2-[[3-(4-methylphenyl)sulfonylimidazol-4-yl]methyl]benzoate Traditional Name: 2-[(3-tosylimidazol-4-yl)methyl]benzoate Formula: C18H15N2O4S- MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-13-6-8-16(9-7-13)25(23,24)20-12-19-11-15(20)10-14-4-2-3-5-17(14)18(21)22/h2-9,11-12H,10H2,1H3,(H,21,22)/p-1