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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-chloranyl-2-oxidanyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 5-chloro-2-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6S/c1-2-25-18-5-4-15(32(28,29)24-7-9-30-10-8-24)12-17(18)23-20(25)13-31-21(27)16-11-14(22)3-6-19(16)26/h3-6,11-12,26H,2,7-10,13H2,1H3