(3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 4-methyl-3-(p-phenetylsulfamoyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H27NO6S/c1-6-28-18-11-9-17(10-12-18)23-30(26,27)19-13-16(8-7-15(19)2)21(25)29-14-20(24)22(3,4)5/h7-13,23H,6,14H2,1-5H3