N,N,1-triethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C21H32N4O3S2/c1-5-24(6-2)30(27,28)17-10-11-19-18(13-17)22-21(25(19)7-3)29-15-20(26)23-12-8-9-16(4)14-23/h10-11,13,16H,5-9,12,14-15H2,1-4H3/t16-/m1/s1