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

Systemtic Name: N,N,1-triethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[2-keto-2-(2-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)N3CCCCC3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCCCC3C

InChI

InChI=1S/C21H32N4O3S2/c1-5-23(6-2)30(27,28)17-11-12-19-18(14-17)22-21(24(19)7-3)29-15-20(26)25-13-9-8-10-16(25)4/h11-12,14,16H,5-10,13,15H2,1-4H3