[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O6S/c1-12(18(19)24)28-17(23)6-5-16-20-14-11-13(3-4-15(14)21(16)2)29(25,26)22-7-9-27-10-8-22/h3-4,11-12H,5-10H2,1-2H3,(H2,19,24)/t12-/m1/s1