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

Systemtic Name: (phenylmethyl) 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O7S/c1-2-3-15-32-19-9-11-20(12-10-19)34(30,31)26-14-13-25(16-21(26)22(27)24-29)23(28)33-17-18-7-5-4-6-8-18/h4-12,21,29H,13-17H2,1H3,(H,24,27)