3-phenylpropyl (butoxycarbonylamino)methanesulfonate

Systemtic Name: 3-phenylpropyl (butoxycarbonylamino)methanesulfonate Openeye Name: 3-phenylpropyl (butoxycarbonylamino)methanesulfonate CAS Name: [[butoxy(oxo)methyl]amino]methanesulfonic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (butoxycarbonylamino)methanesulfonate Traditional Name: (butoxycarbonylamino)methanesulfonic acid 3-phenylpropyl ester Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCS(=O)(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)NCS(=O)(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C15H23NO5S/c1-2-3-11-20-15(17)16-13-22(18,19)21-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)