N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxyphenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxyphenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1H-benzimidazol-2-ylthio)-4-hydroxy-phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H16N4O5S2/c1-12-6-8-14(24(26)27)11-19(12)31(28,29)23-13-7-9-17(25)18(10-13)30-20-21-15-4-2-3-5-16(15)22-20/h2-11,23,25H,1H3,(H,21,22)