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

Systemtic Name: [4-[[2-ethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-ethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(2-ethyl-1-oxobutyl)-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-ethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-ethylbutanoyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FNO4S/c1-4-18(5-2)21(24)23(14-16-6-10-19(22)11-7-16)15-17-8-12-20(13-9-17)27-28(3,25)26/h6-13,18H,4-5,14-15H2,1-3H3