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

Systemtic Name: tert-butyl 4-[(5-cyano-2-methoxy-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-cyano-2-methoxy-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylate CAS Name: 4-[(5-cyano-2-methoxy-4-phenethylphenyl)sulfonylamino]oxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-cyano-2-methoxy-4-phenethylphenyl)sulfonylamino]oxypiperidine-1-carboxylate Traditional Name: 4-[(5-cyano-2-methoxy-4-phenethyl-phenyl)sulfonylamino]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O6S/c1-26(2,3)34-25(30)29-14-12-22(13-15-29)35-28-36(31,32)24-17-21(18-27)20(16-23(24)33-4)11-10-19-8-6-5-7-9-19/h5-9,16-17,22,28H,10-15H2,1-4H3