methyl (2R)-4-(4-chloranyl-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-chloranyl-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-chloro-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate CAS Name: (2R)-4-(4-chloro-3-nitrophenyl)sulfonyl-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-chloro-3-nitrophenyl)sulfonylthiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-chloro-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylic acid methyl ester Formula: C12H13ClN2O6S2 MolecularWeight: 380.82442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O6S2/c1-21-12(16)11-7-14(4-5-22-11)23(19,20)8-2-3-9(13)10(6-8)15(17)18/h2-3,6,11H,4-5,7H2,1H3/t11-/m1/s1