(5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S2/c1-12(2)15-7-5-13(3)9-17(15)27-19(21)11-28(24)18-8-6-14(29(4,25)26)10-16(18)20(22)23/h5-10,12H,11H2,1-4H3/t28-/m0/s1