2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(p-tolylsulfonyl)pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-N-tosyl-pyrrole-3-carboxamide Formula: C21H18F3N3O5S MolecularWeight: 481.44493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H18F3N3O5S/c1-12-4-7-16(8-5-12)33(31,32)25-20(28)17-10-13(2)26(14(17)3)18-9-6-15(21(22,23)24)11-19(18)27(29)30/h4-11H,1-3H3,(H,25,28)