(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=C(C=C4)C)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=C(C=C4)C)O

InChI

InChI=1S/C22H25N3O6S/c1-3-25-19-7-6-17(32(28,29)24-8-10-30-11-9-24)13-18(19)23-21(25)14-31-22(27)16-5-4-15(2)20(26)12-16/h4-7,12-13,26H,3,8-11,14H2,1-2H3