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

Systemtic Name: methyl (2R)-4-(4-methyl-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-methyl-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate CAS Name: (2R)-4-(4-methyl-3-nitrophenyl)sulfonyl-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-methyl-3-nitrophenyl)sulfonylthiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-methyl-3-nitro-phenyl)sulfonylthiomorpholine-2-carboxylic acid methyl ester Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCSC(C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCS[C@H](C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S2/c1-9-3-4-10(7-11(9)15(17)18)23(19,20)14-5-6-22-12(8-14)13(16)21-2/h3-4,7,12H,5-6,8H2,1-2H3/t12-/m1/s1