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

Systemtic Name: [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(tert-butoxycarbonylamino)butyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]phenyl] ester IUPAC Name: [3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(tert-butoxycarbonylamino)butyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO5S/c1-6-18(23-21(24)27-22(3,4)5)14-17-8-7-9-19(15-17)28-29(25,26)20-12-10-16(2)11-13-20/h7-13,15,18H,6,14H2,1-5H3,(H,23,24)