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

Systemtic Name: [(1R)-1-cyanoethyl] 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid [(1R)-1-cyanoethyl] ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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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)N3CCCCC3

Isomeric SMILES

C[C@H](C#N)OC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H24N4O4S/c1-14(13-20)27-19(24)9-8-18-21-16-12-15(6-7-17(16)22(18)2)28(25,26)23-10-4-3-5-11-23/h6-7,12,14H,3-5,8-11H2,1-2H3/t14-/m1/s1