N-tert-butyl-3-nitro-4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-3-nitro-benzenesulfonamide Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S2/c1-20(2,3)22-31(28,29)14-9-10-18(17(13-14)24(26)27)30-12-6-11-23-16-8-5-4-7-15(16)21-19(23)25/h4-5,7-10,13,22H,6,11-12H2,1-3H3,(H,21,25)