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

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

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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)C)O

Isomeric SMILES

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

InChI

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