2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-1-ethyl-5-piperidinosulfonyl-benzimidazole 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=C1SCC4CCOCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC[C@H]4CCOCO4

InChI

InChI=1S/C19H27N3O4S2/c1-2-22-18-7-6-16(28(23,24)21-9-4-3-5-10-21)12-17(18)20-19(22)27-13-15-8-11-25-14-26-15/h6-7,12,15H,2-5,8-11,13-14H2,1H3/t15-/m1/s1