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

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

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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=C4S3

Isomeric SMILES

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

InChI

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