tert-butyl 4-[[3-(3-chlorophenyl)sulfonylphenyl]methyl]-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(3-chlorophenyl)sulfonylphenyl]methyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(3-chlorophenyl)sulfonylphenyl]methyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[[3-(3-chlorophenyl)sulfonylphenyl]methyl]-3-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(3-chlorophenyl)sulfonylphenyl]methyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)sulfonylbenzyl]-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C23H28ClNO5S MolecularWeight: 465.99012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)CC2=CC(=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)CC2=CC(=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H28ClNO5S/c1-23(2,3)30-22(27)25-11-10-17(21(26)15-25)12-16-6-4-8-19(13-16)31(28,29)20-9-5-7-18(24)14-20/h4-9,13-14,17,21,26H,10-12,15H2,1-3H3