4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-[2-[(phenylmethyl)amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-[2-[(phenylmethyl)amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(benzylamino)acetyl]-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxy-1-[1-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(benzylamino)acetyl]-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide Traditional Name: 1-[2-(benzylamino)acetyl]-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbohydroxamic acid Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)CNCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)CNCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C26H31N3O6S/c1-2-3-17-35-22-9-11-23(12-10-22)36(33,34)20-26(25(31)28-32)13-15-29(16-14-26)24(30)19-27-18-21-7-5-4-6-8-21/h4-12,27,32H,13-20H2,1H3,(H,28,31)