1-[4-[(4-tert-butylphenyl)methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(4-tert-butylphenyl)methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-tert-butylphenyl)methoxy]phenyl]sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-tert-butylphenyl)methoxy]phenyl]sulfonyl-4-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-tert-butylphenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-tert-butylbenzyl)oxyphenyl]sulfonyl-4-hydroxy-pipecolinic acid Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3C(=O)O)O

InChI

InChI=1S/C23H29NO6S/c1-23(2,3)17-6-4-16(5-7-17)15-30-19-8-10-20(11-9-19)31(28,29)24-13-12-18(25)14-21(24)22(26)27/h4-11,18,21,25H,12-15H2,1-3H3,(H,26,27)