1-[4-[(5-chloranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(5-chloranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(5-chloro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(5-chloro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-chloro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(5-chloro-2-methyl-benzyl)oxyphenyl]sulfonyl-5-hydroxy-pipecolinic acid Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)O

InChI

InChI=1S/C20H22ClNO6S/c1-13-2-3-15(21)10-14(13)12-28-17-5-7-18(8-6-17)29(26,27)22-11-16(23)4-9-19(22)20(24)25/h2-3,5-8,10,16,19,23H,4,9,11-12H2,1H3,(H,24,25)