(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2R)-2-phenylbutanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2R)-2-phenylbutanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H29N3O5S/c1-3-20(18-8-6-5-7-9-18)24(28)32-17-23-25-21-16-19(10-11-22(21)27(23)4-2)33(29,30)26-12-14-31-15-13-26/h5-11,16,20H,3-4,12-15,17H2,1-2H3/t20-/m1/s1