methyl 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H25N3O5S2/c1-3-25-20-9-8-18(32(27,28)24-10-12-30-13-11-24)14-19(20)23-22(25)31-15-16-4-6-17(7-5-16)21(26)29-2/h4-9,14H,3,10-13,15H2,1-2H3