1-butyl-2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-4-5-12-24-19-11-10-17(30(22,26)27)13-18(19)23-21(24)29-14(2)20(25)15-6-8-16(28-3)9-7-15/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,26,27)/t14-/m1/s1