(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (2S)-2-phenoxypropanoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (2S)-2-phenoxypropanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)[C@H](C)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O6S/c1-3-11-27-22-10-9-20(34(29,30)26-12-14-31-15-13-26)16-21(22)25-23(27)17-32-24(28)18(2)33-19-7-5-4-6-8-19/h4-10,16,18H,3,11-15,17H2,1-2H3/t18-/m0/s1