tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfinylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H30N2O6S/c1-5-6-15-29-17-7-9-18(10-8-17)31(28)16-22(19(25)23-27)11-13-24(14-12-22)20(26)30-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)