(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[methyl-(phenylmethyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H24ClNO5S/c1-21(2,3)19(24)14-28-20(25)17-12-16(10-11-18(17)22)29(26,27)23(4)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3