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

Systemtic Name: 2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3O3S2/c1-4-11-23-18-10-9-16(28(21,25)26)12-17(18)22-20(23)27-14(3)19(24)15-7-5-13(2)6-8-15/h5-10,12,14H,4,11H2,1-3H3,(H2,21,25,26)/t14-/m1/s1