[7-[3-(4-fluorophenyl)propanoylamino]-4,4-diphenyl-heptyl] methanesulfonate

Systemtic Name: [7-[3-(4-fluorophenyl)propanoylamino]-4,4-diphenyl-heptyl] methanesulfonate Openeye Name: [7-[3-(4-fluorophenyl)propanoylamino]-4,4-diphenyl-heptyl] methanesulfonate CAS Name: methanesulfonic acid [7-[[3-(4-fluorophenyl)-1-oxopropyl]amino]-4,4-diphenylheptyl] ester IUPAC Name: [7-[3-(4-fluorophenyl)propanoylamino]-4,4-diphenylheptyl] methanesulfonate Traditional Name: methanesulfonic acid [7-[3-(4-fluorophenyl)propanoylamino]-4,4-diphenyl-heptyl] ester Formula: C29H34FNO4S MolecularWeight: 511.647963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34FNO4S/c1-36(33,34)35-23-9-21-29(25-10-4-2-5-11-25,26-12-6-3-7-13-26)20-8-22-31-28(32)19-16-24-14-17-27(30)18-15-24/h2-7,10-15,17-18H,8-9,16,19-23H2,1H3,(H,31,32)