N-[(1R,2S)-1-chloranyl-3-(4-methoxyphenyl)-3-oxidanylidene-1-phenyl-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-1-chloranyl-3-(4-methoxyphenyl)-3-oxidanylidene-1-phenyl-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-[(R)-chloro(phenyl)methyl]-2-(4-methoxyphenyl)-2-oxo-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2S)-1-chloro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-chloro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-[(R)-chloro(phenyl)methyl]-2-keto-2-(4-methoxyphenyl)ethyl]-2-nitro-benzenesulfonamide Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O6S/c1-31-17-13-11-16(12-14-17)22(26)21(20(23)15-7-3-2-4-8-15)24-32(29,30)19-10-6-5-9-18(19)25(27)28/h2-14,20-21,24H,1H3/t20-,21-/m1/s1