tert-butyl 5-chloranyl-2-[4-(methylsulfonylaminomethyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-[4-(methylsulfonylaminomethyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-hydroxy-4-(methanesulfonamidomethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-hydroxy-4-(methanesulfonamidomethyl)-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-hydroxy-4-(methanesulfonamidomethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-hydroxy-4-(methanesulfonamidomethyl)piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C18H27ClN2O7S2 MolecularWeight: 482.99918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C)O

InChI

InChI=1S/C18H27ClN2O7S2/c1-17(2,3)28-16(22)14-11-13(19)5-6-15(14)30(26,27)21-9-7-18(23,8-10-21)12-20-29(4,24)25/h5-6,11,20,23H,7-10,12H2,1-4H3