(2,3,6-trimethylphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC4=C(C=CC(=C4C)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC4=C(C=CC(=C4C)C)C

InChI

InChI=1S/C25H31N3O5S/c1-5-28-22-9-8-20(34(30,31)27-12-14-32-15-13-27)16-21(22)26-23(28)10-11-24(29)33-25-18(3)7-6-17(2)19(25)4/h6-9,16H,5,10-15H2,1-4H3