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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-methyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-methylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-methylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-methyl-phenyl]-4-methyl-benzenesulfonamide Formula: C21H18N2O3S3 MolecularWeight: 442.57422

Click to see the large picture

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=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O3S3/c1-13-7-9-16(10-8-13)29(25,26)23-15-11-14(2)20(24)19(12-15)28-21-22-17-5-3-4-6-18(17)27-21/h3-12,23-24H,1-2H3