N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(R)-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-nitro-benzenesulfonamide Formula: C21H17F3N2O5S MolecularWeight: 466.43029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N2O5S/c1-31-18-10-4-15(5-11-18)20(14-2-6-16(7-3-14)21(22,23)24)25-32(29,30)19-12-8-17(9-13-19)26(27)28/h2-13,20,25H,1H3/t20-/m1/s1