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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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