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

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

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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)C

Isomeric SMILES

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

InChI

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