1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-(propan-2-yloxycarbonylamino)piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-(propan-2-yloxycarbonylamino)piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-(isopropoxycarbonylamino)piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-[[oxo(propan-2-yloxy)methyl]amino]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-(propan-2-yloxycarbonylamino)piperidine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-3-(isopropoxycarbonylamino)pipecolinic acid Formula: C23H27FN2O7S MolecularWeight: 494.533083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)OC(=O)NC1CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O7S/c1-15(2)33-23(29)25-20-4-3-13-26(21(20)22(27)28)34(30,31)19-11-9-18(10-12-19)32-14-16-5-7-17(24)8-6-16/h5-12,15,20-21H,3-4,13-14H2,1-2H3,(H,25,29)(H,27,28)