2-[4-(5-aminocarbonyl-6-chloranyl-2-ethyl-benzimidazol-1-yl)phenyl]ethyl methanesulfonate

Systemtic Name: 2-[4-(5-aminocarbonyl-6-chloranyl-2-ethyl-benzimidazol-1-yl)phenyl]ethyl methanesulfonate Openeye Name: 2-[4-(5-carbamoyl-6-chloro-2-ethyl-benzimidazol-1-yl)phenyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-(5-carbamoyl-6-chloro-2-ethyl-1-benzimidazolyl)phenyl]ethyl ester IUPAC Name: 2-[4-(5-carbamoyl-6-chloro-2-ethylbenzimidazol-1-yl)phenyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(5-carbamoyl-6-chloro-2-ethyl-benzimidazol-1-yl)phenyl]ethyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)CCOS(=O)(=O)C)C=C(C(=C2)C(=O)N)Cl

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)CCOS(=O)(=O)C)C=C(C(=C2)C(=O)N)Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-3-18-22-16-10-14(19(21)24)15(20)11-17(16)23(18)13-6-4-12(5-7-13)8-9-27-28(2,25)26/h4-7,10-11H,3,8-9H2,1-2H3,(H2,21,24)