ethanedioic acid; [3-[[2-methyl-1-(phenylsulfonylamino)propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate

Systemtic Name: ethanedioic acid; [3-[[2-methyl-1-(phenylsulfonylamino)propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [3-[[2-(benzenesulfonamido)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propyl] 2-fluorobenzoate; oxalic acid CAS Name: 2-fluorobenzoic acid [3-[[1-(benzenesulfonamido)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] ester; oxalic acid IUPAC Name: [3-[[1-(benzenesulfonamido)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate; oxalic acid Traditional Name: 2-fluorobenzoic acid [3-[[2-(benzenesulfonamido)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propyl] ester; oxalic acid Formula: C22H27FN2O9S MolecularWeight: 514.521183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNS(=O)(=O)C1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CNS(=O)(=O)C1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25FN2O5S.C2H2O4/c1-20(2,14-23-29(26,27)16-8-4-3-5-9-16)22-12-15(24)13-28-19(25)17-10-6-7-11-18(17)21;3-1(4)2(5)6/h3-11,15,22-24H,12-14H2,1-2H3;(H,3,4)(H,5,6)