[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H19ClN2O7S MolecularWeight: 478.90276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H19ClN2O7S/c22-14-4-6-15(7-5-14)32(28,29)24-9-1-2-17(24)21(27)31-11-18(25)13-3-8-19-16(10-13)23-20(26)12-30-19/h3-8,10,17H,1-2,9,11-12H2,(H,23,26)/t17-/m0/s1