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

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-4-oxidanyl-phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methyl-phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methyl-phenyl]-4-methoxy-benzenesulfonamide Formula: C21H18N2O4S3 MolecularWeight: 458.57362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S3/c1-13-11-18(24)20(29-21-22-16-5-3-4-6-19(16)28-21)12-17(13)23-30(25,26)15-9-7-14(27-2)8-10-15/h3-12,23-24H,1-2H3