tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O7S/c1-5-6-13-29-15-7-9-16(10-8-15)31(27,28)23-12-11-22(14-17(23)18(24)21-26)19(25)30-20(2,3)4/h7-10,17,26H,11-14H2,1-4H3,(H,21,24)