2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O4S2/c1-3-9-21-17-8-7-14(28(19,25)26)10-15(17)20-18(21)27-11-13-5-4-6-16(12(13)2)22(23)24/h4-8,10H,3,9,11H2,1-2H3,(H2,19,25,26)