[8-[3-(4-fluorophenyl)propanoylamino]-5,5-diphenyl-octyl] methanesulfonate

Systemtic Name: [8-[3-(4-fluorophenyl)propanoylamino]-5,5-diphenyl-octyl] methanesulfonate Openeye Name: [8-[3-(4-fluorophenyl)propanoylamino]-5,5-diphenyl-octyl] methanesulfonate CAS Name: methanesulfonic acid [8-[[3-(4-fluorophenyl)-1-oxopropyl]amino]-5,5-diphenyloctyl] ester IUPAC Name: [8-[3-(4-fluorophenyl)propanoylamino]-5,5-diphenyloctyl] methanesulfonate Traditional Name: methanesulfonic acid [8-[3-(4-fluorophenyl)propanoylamino]-5,5-diphenyl-octyl] ester Formula: C30H36FNO4S MolecularWeight: 525.674543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC(CCCNC(=O)CCC1=CC=C(C=C1)F)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCCCCC(CCCNC(=O)CCC1=CC=C(C=C1)F)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C30H36FNO4S/c1-37(34,35)36-24-9-8-21-30(26-11-4-2-5-12-26,27-13-6-3-7-14-27)22-10-23-32-29(33)20-17-25-15-18-28(31)19-16-25/h2-7,11-16,18-19H,8-10,17,20-24H2,1H3,(H,32,33)