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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H32N4O3S2/c1-5-6-12-25-19-10-9-17(30(27,28)23(3)4)13-18(19)22-21(25)29-15-20(26)24-11-7-8-16(2)14-24/h9-10,13,16H,5-8,11-12,14-15H2,1-4H3