tert-butyl 4-(oxidanylcarbamoyl)-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-1-carboxylate hydrochloride

Systemtic Name: tert-butyl 4-(oxidanylcarbamoyl)-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-1-carboxylate hydrochloride Openeye Name: tert-butyl 4-(hydroxycarbamoyl)-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-1-carboxylate hydrochloride CAS Name: 4-[(hydroxyamino)-oxomethyl]-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-piperidinecarboxylic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 4-(hydroxycarbamoyl)-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-1-carboxylate hydrochloride Traditional Name: 4-(hydroxycarbamoyl)-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidine-1-carboxylic acid tert-butyl ester hydrochloride Formula: C24H31ClN2O7S MolecularWeight: 527.03014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NO.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NO.Cl

InChI

InChI=1S/C24H30N2O7S.ClH/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18;/h4-12,29H,13-17H2,1-3H3,(H,25,27);1H