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

Systemtic Name: methyl 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: methyl 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetic acid methyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)OC

InChI

InChI=1S/C17H23N3O4S2/c1-3-20-15-8-7-13(26(22,23)19-9-5-4-6-10-19)11-14(15)18-17(20)25-12-16(21)24-2/h7-8,11H,3-6,9-10,12H2,1-2H3