(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-bis(chloranyl)benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-bis(chloranyl)benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2,3-dichlorobenzoate CAS Name: 2,3-dichlorobenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2,3-dichlorobenzoate Traditional Name: 2,3-dichlorobenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H21Cl2N3O5S MolecularWeight: 498.37954

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O5S/c1-2-26-18-7-6-14(32(28,29)25-8-10-30-11-9-25)12-17(18)24-19(26)13-31-21(27)15-4-3-5-16(22)20(15)23/h3-7,12H,2,8-11,13H2,1H3