[3-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3-(3,4-dimethoxy-2,5-dipentoxy-phenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-3-(2,5-diamoxy-3,4-dimethoxy-phenyl)propyl] ester Formula: C33H51NO9S MolecularWeight: 637.82434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1)CC(COS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1)CC(COS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C)OCCCCC)OC)OC

InChI

InChI=1S/C33H51NO9S/c1-9-11-13-19-40-28-22-25(29(41-20-14-12-10-2)31(39-8)30(28)38-7)21-26(34-32(35)43-33(4,5)6)23-42-44(36,37)27-17-15-24(3)16-18-27/h15-18,22,26H,9-14,19-21,23H2,1-8H3,(H,34,35)