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

Systemtic Name: propan-2-yl 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetic acid isopropyl ester Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S2/c1-4-22-17-9-8-15(28(24,25)21-10-6-5-7-11-21)12-16(17)20-19(22)27-13-18(23)26-14(2)3/h8-9,12,14H,4-7,10-11,13H2,1-3H3