3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[tert-butoxycarbonyl(isopropyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-propan-2-ylamino]propyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[tert-butoxycarbonyl(isopropyl)amino]propyl ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H29NO5S/c1-14(2)19(17(20)24-18(4,5)6)12-7-13-23-25(21,22)16-10-8-15(3)9-11-16/h8-11,14H,7,12-13H2,1-6H3