N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-4-methyl-benzenesulfonamide Formula: C22H19N3O5S3 MolecularWeight: 501.59836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H19N3O5S3/c1-14-3-7-18(8-4-14)33(28,29)24-16-5-9-19-21(12-16)32-22(23-19)31-13-15-11-17(25(26)27)6-10-20(15)30-2/h3-12,24H,13H2,1-2H3