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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-methoxy-2-oxidanyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/c1-3-25-19-6-5-16(33(28,29)24-8-10-31-11-9-24)13-18(19)23-21(25)14-32-22(27)17-12-15(30-2)4-7-20(17)26/h4-7,12-13,26H,3,8-11,14H2,1-2H3