2-(3-methylphenoxy)ethyl 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanoate Openeye Name: 2-(3-methylphenoxy)ethyl 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanoate CAS Name: 3-(1-ethyl-5-sulfamoyl-2-benzimidazolyl)propanoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propionic acid 2-(3-methylphenoxy)ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)OCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)OCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H25N3O5S/c1-3-24-19-8-7-17(30(22,26)27)14-18(19)23-20(24)9-10-21(25)29-12-11-28-16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H2,22,26,27)