N-[3-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-5-methyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxy-5-methylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-5-methylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxy-5-methyl-phenyl]-4-methyl-benzenesulfonamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O3S2/c1-13-7-9-16(10-8-13)29(26,27)24-15-11-14(2)20(25)19(12-15)28-21-22-17-5-3-4-6-18(17)23-21/h3-12,24-25H,1-2H3,(H,22,23)