5-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole

Systemtic Name: 5-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole Openeye Name: 5-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole CAS Name: 5-nitro-1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole IUPAC Name: 5-nitro-1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole Traditional Name: 1-mesitylsulfonyl-5-nitro-benzimidazole Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-10-6-11(2)16(12(3)7-10)24(22,23)18-9-17-14-8-13(19(20)21)4-5-15(14)18/h4-9H,1-3H3