[4-[[(4-fluorophenyl)methyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorobenzyl)-o-toluoyl-amino]methyl]phenyl] ester Formula: C23H22FNO4S MolecularWeight: 427.488483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO4S/c1-17-5-3-4-6-22(17)23(26)25(15-18-7-11-20(24)12-8-18)16-19-9-13-21(14-10-19)29-30(2,27)28/h3-14H,15-16H2,1-2H3