[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate Openeye Name: [[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy-oxomethyl]amino] ester IUPAC Name: [[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] ester Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(CO1)OC(=O)NOS(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCC[C@H]1C=C[C@@H](CO1)OC(=O)NOS(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C19H27NO6S/c1-5-6-7-16-8-9-17(12-24-16)25-19(21)20-26-27(22,23)18-14(3)10-13(2)11-15(18)4/h8-11,16-17H,5-7,12H2,1-4H3,(H,20,21)/t16-,17-/m0/s1