[6-[3-(4-fluorophenyl)propanoylamino]-3,3-diphenyl-hexyl] methanesulfonate

Systemtic Name: [6-[3-(4-fluorophenyl)propanoylamino]-3,3-diphenyl-hexyl] methanesulfonate Openeye Name: [6-[3-(4-fluorophenyl)propanoylamino]-3,3-diphenyl-hexyl] methanesulfonate CAS Name: methanesulfonic acid [6-[[3-(4-fluorophenyl)-1-oxopropyl]amino]-3,3-diphenylhexyl] ester IUPAC Name: [6-[3-(4-fluorophenyl)propanoylamino]-3,3-diphenylhexyl] methanesulfonate Traditional Name: methanesulfonic acid [6-[3-(4-fluorophenyl)propanoylamino]-3,3-diphenyl-hexyl] ester Formula: C28H32FNO4S MolecularWeight: 497.621383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO4S/c1-35(32,33)34-22-20-28(24-9-4-2-5-10-24,25-11-6-3-7-12-25)19-8-21-30-27(31)18-15-23-13-16-26(29)17-14-23/h2-7,9-14,16-17H,8,15,18-22H2,1H3,(H,30,31)