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

Systemtic Name: [(1R)-1-cyanoethyl] 3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid [(1R)-1-cyanoethyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-13(12-19)27-18(23)6-5-17-20-15-11-14(3-4-16(15)21(17)2)28(24,25)22-7-9-26-10-8-22/h3-4,11,13H,5-10H2,1-2H3/t13-/m1/s1