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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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