4-phenylbutyl 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-benzenesulfonate

Systemtic Name: 4-phenylbutyl 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-benzenesulfonate Openeye Name: 4-phenylbutyl 3-(tert-butoxycarbonylamino)-5-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzenesulfonic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 3-hydroxy-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate Traditional Name: 3-(tert-butoxycarbonylamino)-5-hydroxy-4-methyl-benzenesulfonic acid 4-phenylbutyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NC(=O)OC(C)(C)C)S(=O)(=O)OCCCCC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=C(C=C1NC(=O)OC(C)(C)C)S(=O)(=O)OCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO6S/c1-16-19(23-21(25)29-22(2,3)4)14-18(15-20(16)24)30(26,27)28-13-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,14-15,24H,8-9,12-13H2,1-4H3,(H,23,25)