[(3S)-2-oxidanylideneoxolan-3-yl] 4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate CAS Name: 4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Traditional Name: 3-(mesitylsulfonylamino)-4-methyl-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H23NO6S/c1-12-9-14(3)19(15(4)10-12)29(25,26)22-17-11-16(6-5-13(17)2)20(23)28-18-7-8-27-21(18)24/h5-6,9-11,18,22H,7-8H2,1-4H3/t18-/m0/s1