N-[3-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dimethyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dimethyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2,6-dimethyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2,6-dimethylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2,6-dimethylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2,6-dimethyl-phenyl]-4-methyl-benzenesulfonamide Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C=C2C)O)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C=C2C)O)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H20N2O3S3/c1-13-8-10-16(11-9-13)30(26,27)24-20-14(2)12-18(25)21(15(20)3)29-22-23-17-6-4-5-7-19(17)28-22/h4-12,24-25H,1-3H3