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

Systemtic Name: (4-methoxyphenyl) 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester Formula: C25H28N2O8S MolecularWeight: 516.56342

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)OC3=CC=C(C=C3)OC)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC3=CC=C(C=C3)OC)C(=O)NO

InChI

InChI=1S/C25H28N2O8S/c1-3-4-17-34-20-9-11-22(12-10-20)36(31,32)18-25(23(28)26-30)13-15-27(16-14-25)24(29)35-21-7-5-19(33-2)6-8-21/h5-12,30H,13-18H2,1-2H3,(H,26,28)