tert-butyl 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-methoxy-3-oxidanylidene-propyl]-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-methoxy-3-oxidanylidene-propyl]-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-methoxy-3-oxo-propyl]-4,5-dihydroisoxazol-3-yl]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-methoxy-3-oxopropyl]-4,5-dihydroisoxazol-3-yl]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-methoxy-3-oxopropyl]-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5S)-5-[(2S)-2-(butylsulfonylamino)-3-keto-3-methoxy-propyl]-2-isoxazolin-3-yl]phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O8S MolecularWeight: 581.72132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1CC(=NO1)C2=CC=C(C=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C[C@H]1CC(=NO1)C2=CC=C(C=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C28H43N3O8S/c1-6-7-16-40(34,35)30-25(26(32)36-5)18-23-17-24(29-39-23)21-8-10-22(11-9-21)37-19-20-12-14-31(15-13-20)27(33)38-28(2,3)4/h8-11,20,23,25,30H,6-7,12-19H2,1-5H3/t23-,25+/m1/s1