5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)benzenesulfonamide CAS Name: 5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-5-(4-chlorophenyl)-3-(1H-imidazol-5-yl)benzenesulfonamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)Cl)C4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)Cl)C4=CN=CN4

InChI

InChI=1S/C22H18ClN3O2S2/c23-18-8-6-16(7-9-18)17-10-19(20-12-25-14-26-20)22(21(11-17)30(24,27)28)29-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,25,26)(H2,24,27,28)