(phenylmethyl) 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: benzyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid benzyl ester Formula: C25H28N2O7S MolecularWeight: 500.56402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C25H28N2O7S/c1-2-3-17-33-21-9-11-22(12-10-21)35(31,32)19-25(23(28)26-30)13-15-27(16-14-25)24(29)34-18-20-7-5-4-6-8-20/h4-12,30H,13-19H2,1H3,(H,26,28)