3-(4-cyanophenoxy)propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonate

Systemtic Name: 3-(4-cyanophenoxy)propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonate Openeye Name: 3-(4-cyanophenoxy)propyl 2-(tert-butoxycarbonylamino)ethanesulfonate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethanesulfonic acid 3-(4-cyanophenoxy)propyl ester IUPAC Name: 3-(4-cyanophenoxy)propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonate Traditional Name: 2-(tert-butoxycarbonylamino)ethanesulfonic acid 3-(4-cyanophenoxy)propyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCS(=O)(=O)OCCCOC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCS(=O)(=O)OCCCOC1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H24N2O6S/c1-17(2,3)25-16(20)19-9-12-26(21,22)24-11-4-10-23-15-7-5-14(13-18)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,19,20)