3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl 4-methylbenzenesulfonate Openeye Name: 3-(tert-butoxycarbonylamino)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(tert-butoxycarbonylamino)butyl ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H25NO5S/c1-12-6-8-14(9-7-12)23(19,20)21-11-10-13(2)17-15(18)22-16(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,17,18)