N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxyphenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxyphenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxy-phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c1-13-10-14(2)21(15(3)11-13)30(27,28)25-16-8-9-19(26)20(12-16)29-22-23-17-6-4-5-7-18(17)24-22/h4-12,25-26H,1-3H3,(H,23,24)