2-[4-(6-chloranyl-2-ethyl-5-methylsulfonyl-benzimidazol-1-yl)phenyl]ethyl propanoate

Systemtic Name: 2-[4-(6-chloranyl-2-ethyl-5-methylsulfonyl-benzimidazol-1-yl)phenyl]ethyl propanoate Openeye Name: 2-[4-(6-chloro-2-ethyl-5-methylsulfonyl-benzimidazol-1-yl)phenyl]ethyl propanoate CAS Name: propanoic acid 2-[4-(6-chloro-2-ethyl-5-methylsulfonyl-1-benzimidazolyl)phenyl]ethyl ester IUPAC Name: 2-[4-(6-chloro-2-ethyl-5-methylsulfonylbenzimidazol-1-yl)phenyl]ethyl propanoate Traditional Name: propionic acid 2-[4-(6-chloro-2-ethyl-5-mesyl-benzimidazol-1-yl)phenyl]ethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCOC(=O)CC)Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCOC(=O)CC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O4S/c1-4-20-23-17-13-19(29(3,26)27)16(22)12-18(17)24(20)15-8-6-14(7-9-15)10-11-28-21(25)5-2/h6-9,12-13H,4-5,10-11H2,1-3H3