(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]benzoate CAS Name: 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C)OC

InChI

InChI=1S/C22H26N2O7S/c1-14(25)23-18-12-15(10-11-19(18)30-5)32(28,29)24-17-9-7-6-8-16(17)21(27)31-13-20(26)22(2,3)4/h6-12,24H,13H2,1-5H3,(H,23,25)