methyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: methyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: methyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid methyl ester Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O7S/c1-3-4-13-28-15-5-7-16(8-6-15)29(25,26)14-19(17(22)20-24)9-11-21(12-10-19)18(23)27-2/h5-8,24H,9-14H2,1-2H3,(H,20,22)