2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-benzimidazole

Systemtic Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-benzimidazole Openeye Name: 2-methyl-5-nitro-1-(p-tolylsulfonyl)benzimidazole CAS Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitrobenzimidazole IUPAC Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitrobenzimidazole Traditional Name: 2-methyl-5-nitro-1-tosyl-benzimidazole Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O4S/c1-10-3-6-13(7-4-10)23(21,22)17-11(2)16-14-9-12(18(19)20)5-8-15(14)17/h3-9H,1-2H3