tert-butyl 4-[(5-cyano-2-oxidanyl-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-cyano-2-oxidanyl-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-cyano-2-hydroxy-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylate CAS Name: 4-[(5-cyano-2-hydroxy-4-phenethylphenyl)sulfonylamino]oxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-cyano-2-hydroxy-4-phenethylphenyl)sulfonylamino]oxypiperidine-1-carboxylate Traditional Name: 4-[(5-cyano-2-hydroxy-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)ONS(=O)(=O)C2=C(C=C(C(=C2)C#N)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)ONS(=O)(=O)C2=C(C=C(C(=C2)C#N)CCC3=CC=CC=C3)O

InChI

InChI=1S/C25H31N3O6S/c1-25(2,3)33-24(30)28-13-11-21(12-14-28)34-27-35(31,32)23-16-20(17-26)19(15-22(23)29)10-9-18-7-5-4-6-8-18/h4-8,15-16,21,27,29H,9-14H2,1-3H3