tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[(4-phenoxyphenyl)sulfanylmethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[(4-phenoxyphenyl)sulfanylmethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbamoyl)-4-[(4-phenoxyphenyl)sulfanylmethyl]piperidine-1-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxyamino]-oxomethyl]-4-[[(4-phenoxyphenyl)thio]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[(4-phenoxyphenyl)sulfanylmethyl]piperidine-1-carboxylate Traditional Name: 2-(tert-butoxycarbamoyl)-4-[[(4-phenoxyphenyl)thio]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H38N2O5S MolecularWeight: 514.67672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1C(=O)NOC(C)(C)C)CSC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1C(=O)NOC(C)(C)C)CSC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C28H38N2O5S/c1-27(2,3)34-26(32)30-17-16-20(18-24(30)25(31)29-35-28(4,5)6)19-36-23-14-12-22(13-15-23)33-21-10-8-7-9-11-21/h7-15,20,24H,16-19H2,1-6H3,(H,29,31)