1-(4-methylphenyl)sulfonyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole Openeye Name: 7-nitro-1-(p-tolylsulfonyl)-2,5-bis(trifluoromethyl)benzimidazole CAS Name: 1-(4-methylphenyl)sulfonyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-7-nitro-2,5-bis(trifluoromethyl)benzimidazole Traditional Name: 7-nitro-1-tosyl-2,5-bis(trifluoromethyl)benzimidazole Formula: C16H9F6N3O4S MolecularWeight: 453.315779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

InChI

InChI=1S/C16H9F6N3O4S/c1-8-2-4-10(5-3-8)30(28,29)24-13-11(23-14(24)16(20,21)22)6-9(15(17,18)19)7-12(13)25(26)27/h2-7H,1H3