4-oxidanyl-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 4-oxidanyl-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[4-[(4-isopropylphenyl)methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[4-(4-isopropylbenzyl)oxyphenyl]sulfonyl-pipecolinic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-15(2)17-5-3-16(4-6-17)14-29-19-7-9-20(10-8-19)30(27,28)23-12-11-18(24)13-21(23)22(25)26/h3-10,15,18,21,24H,11-14H2,1-2H3,(H,25,26)