(4-but-2-ynoxyphenyl)sulfonyl 2-tert-butyl-2-(oxidanylamino)-4-(2-oxidanylideneethyl)piperidine-1-carboxylate

Systemtic Name: (4-but-2-ynoxyphenyl)sulfonyl 2-tert-butyl-2-(oxidanylamino)-4-(2-oxidanylideneethyl)piperidine-1-carboxylate Openeye Name: (4-but-2-ynoxyphenyl)sulfonyl 2-tert-butyl-2-(hydroxyamino)-4-(2-oxoethyl)piperidine-1-carboxylate CAS Name: 2-tert-butyl-2-(hydroxyamino)-4-(2-oxoethyl)-1-piperidinecarboxylic acid (4-but-2-ynoxyphenyl)sulfonyl ester IUPAC Name: (4-but-2-ynoxyphenyl)sulfonyl 2-tert-butyl-2-(hydroxyamino)-4-(2-oxoethyl)piperidine-1-carboxylate Traditional Name: 2-tert-butyl-2-(hydroxyamino)-4-(2-ketoethyl)piperidine-1-carboxylic acid (4-but-2-ynoxyphenyl)sulfonyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC(=O)N2CCC(CC2(C(C)(C)C)NO)CC=O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC(=O)N2CCC(CC2(C(C)(C)C)NO)CC=O

InChI

InChI=1S/C22H30N2O7S/c1-5-6-15-30-18-7-9-19(10-8-18)32(28,29)31-20(26)24-13-11-17(12-14-25)16-22(24,23-27)21(2,3)4/h7-10,14,17,23,27H,11-13,15-16H2,1-4H3