[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propyl]phenyl] ester IUPAC Name: [3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] ester Formula: C31H29NO5S MolecularWeight: 527.63066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H29NO5S/c1-21-14-16-25(17-15-21)38(34,35)37-24-9-7-8-23(19-24)18-22(2)32-31(33)36-20-30-28-12-5-3-10-26(28)27-11-4-6-13-29(27)30/h3-17,19,22,30H,18,20H2,1-2H3,(H,32,33)