1-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole

Systemtic Name: 1-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole Openeye Name: 1-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-benzimidazole CAS Name: 1-methyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]benzimidazole IUPAC Name: 1-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylbenzimidazole Traditional Name: 1-methyl-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]benzimidazole Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-20-15-7-3-2-6-14(15)19-18(20)27-17-9-8-13(12-16(17)22(23)24)28(25,26)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3