1-butyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3[C@@H](CCC[C@H]3C)C

InChI

InChI=1S/C20H30N4O3S2/c1-4-5-11-23-18-10-9-16(29(21,26)27)12-17(18)22-20(23)28-13-19(25)24-14(2)7-6-8-15(24)3/h9-10,12,14-15H,4-8,11,13H2,1-3H3,(H2,21,26,27)/t14-,15-/m1/s1