3-oxidanylidenebutan-2-yl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid (2-keto-1-methyl-propyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H27NO5S/c1-15(24)16(2)28-21(25)18-8-6-17(7-9-18)14-23-29(26,27)20-12-10-19(11-13-20)22(3,4)5/h6-13,16,23H,14H2,1-5H3