ethyl 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]acetate CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]acetic acid ethyl 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=C1CSCC(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSCC(=O)OCC

InChI

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