[5-[[butan-2-yl-(4-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-(4-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(4-fluorophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO5S/c1-5-15(3)23(21(24)17-8-10-18(22)11-9-17)14-16-7-12-19(27-4)20(13-16)28-29(25,26)6-2/h7-13,15H,5-6,14H2,1-4H3