N,1-dibutyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,1-dibutyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,1-dibutyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,1-dibutyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,1-dibutyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,1-dibutyl-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzimidazole-5-sulfonamide Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCC3)CCCC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCC3)CCCC

InChI

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