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

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-3-4-11-27-13-5-7-14(8-6-13)28(24,25)20-10-9-19(17(22)26-2)12-15(20)16(21)18-23/h5-8,15,23H,9-12H2,1-2H3,(H,18,21)