(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-6-11-18(12-15(14)2)28(25,26)22-17-9-7-16(8-10-17)20(24)27-13-19(23)21(3,4)5/h6-12,22H,13H2,1-5H3