methyl 4-[(5-methylsulfonyl-1-propan-2-yl-benzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-methylsulfonyl-1-propan-2-yl-benzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-isopropyl-5-methylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-methylsulfonyl-1-propan-2-yl-2-benzimidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methylsulfonyl-1-propan-2-ylbenzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-isopropyl-5-mesyl-benzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)C)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)C)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O4S2/c1-13(2)22-18-10-9-16(28(4,24)25)11-17(18)21-20(22)27-12-14-5-7-15(8-6-14)19(23)26-3/h5-11,13H,12H2,1-4H3