methyl (2R)-4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylthiomorpholine-2-carboxylate CAS Name: (2R)-4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylthiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylthiomorpholine-2-carboxylic acid methyl ester Formula: C13H15ClN2O6S2 MolecularWeight: 394.851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O6S2/c1-8-10(14)5-9(6-11(8)16(18)19)24(20,21)15-3-4-23-12(7-15)13(17)22-2/h5-6,12H,3-4,7H2,1-2H3/t12-/m1/s1