N-butyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[[2-(2,6-dimethylmorpholino)-2-keto-ethyl]thio]-3H-benzimidazole-5-sulfonamide Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC(OC(C3)C)C

InChI

InChI=1S/C19H28N4O4S2/c1-4-5-8-20-29(25,26)15-6-7-16-17(9-15)22-19(21-16)28-12-18(24)23-10-13(2)27-14(3)11-23/h6-7,9,13-14,20H,4-5,8,10-12H2,1-3H3,(H,21,22)