dimethyl (1S,2R,5S)-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-cyclohex-3-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2R,5S)-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-cyclohex-3-ene-1,2-dicarboxylate Openeye Name: dimethyl (1S,2R,5S)-2-hydroxy-5-(p-tolylsulfonylamino)cyclohex-3-ene-1,2-dicarboxylate CAS Name: (1S,2R,5S)-2-hydroxy-5-[(4-methylphenyl)sulfonylamino]cyclohex-3-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,5S)-2-hydroxy-5-[(4-methylphenyl)sulfonylamino]cyclohex-3-ene-1,2-dicarboxylate Traditional Name: (1S,2R,5S)-2-hydroxy-5-(tosylamino)cyclohex-3-ene-1,2-dicarboxylic acid dimethyl ester Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(C(C=C2)(C(=O)OC)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[C@@H]([C@](C=C2)(C(=O)OC)O)C(=O)OC

InChI

InChI=1S/C17H21NO7S/c1-11-4-6-13(7-5-11)26(22,23)18-12-8-9-17(21,16(20)25-3)14(10-12)15(19)24-2/h4-9,12,14,18,21H,10H2,1-3H3/t12-,14-,17-/m1/s1