(3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO5S/c1-20(2,3)18(23)13-27-19(24)15-9-10-16(21)17(11-15)28(25,26)22-12-14-7-5-4-6-8-14/h4-11,22H,12-13H2,1-3H3