Benzenebutanoic acid,4-[(methylsulfonyl)amino]-g-oxo- (100632-57-3)

The 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid, its cas register number is 100632-57-3. It also can be called as 4-[(Methylsulfonyl)amino]-gamma-oxo-benzenebutanoic acid and the Systematic name about this chemical is 4-{4-[(methylsulfonyl)amino]phenyl}-4-oxobutanoic acid.

Physical properties about 4-[(4-Mesylamino)phenyl]-4-oxobutyric acid are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 89.13Ų; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 64.13 cm³; (7)Molar Volume: 189 cm³; (8)Polarizability: 25.42X10^-24cm³; (9)Surface Tension: 64.5 dyne/cm; (10)Enthalpy of Vaporization: 83.44 kJ/mol; (11)Vapour Pressure: 1.25E-11 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(=O)CCC(=O)O)C
(2)InChI: InChI=1/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
(3)InChIKey: SJLUQBVGSCLNRB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
(5)Std. InChIKey: SJLUQBVGSCLNRB-UHFFFAOYSA-N