N-[(2S)-2-(2,5-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(2,5-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-(2,5-dimethoxyphenyl)-2-keto-1-methyl-ethyl]-2-nitro-benzenesulfonamide Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)(C1=C(C=CC(=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@](C=O)(C1=C(C=CC(=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-17(11-20,13-10-12(25-2)8-9-15(13)26-3)18-27(23,24)16-7-5-4-6-14(16)19(21)22/h4-11,18H,1-3H3/t17-/m1/s1