(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 2-[(1-mesylisonipecotoyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-20(2,3)17(23)13-28-19(25)15-7-5-6-8-16(15)21-18(24)14-9-11-22(12-10-14)29(4,26)27/h5-8,14H,9-13H2,1-4H3,(H,21,24)