2-[1-(3-nitrophenyl)ethylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[1-(3-nitrophenyl)ethylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[1-(3-nitrophenyl)ethylthio]-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=C1SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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