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

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-4-oxidanyl-phenyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methyl-phenyl]-4-chloro-benzenesulfonamide CAS Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methylphenyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methylphenyl]-4-chlorobenzenesulfonamide Traditional Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methyl-phenyl]-4-chloro-benzenesulfonamide Formula: C20H15ClN2O3S3 MolecularWeight: 462.9927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H15ClN2O3S3/c1-12-10-17(24)19(28-20-22-15-4-2-3-5-18(15)27-20)11-16(12)23-29(25,26)14-8-6-13(21)7-9-14/h2-11,23-24H,1H3