[(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C15H14N2O7S2 MolecularWeight: 398.41086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O7S2/c1-9(24-15(19)12-7-8-13(25-12)17(20)21)14(18)10-3-5-11(6-4-10)16-26(2,22)23/h3-9,16H,1-2H3/t9-/m0/s1