methyl (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: methyl (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylpropanoate Openeye Name: methyl (2R)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionic acid methyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1S[C@H](C)C(=O)OC

InChI

InChI=1S/C18H25N3O4S2/c1-4-21-16-9-8-14(27(23,24)20-10-6-5-7-11-20)12-15(16)19-18(21)26-13(2)17(22)25-3/h8-9,12-13H,4-7,10-11H2,1-3H3/t13-/m1/s1