[3-[[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-fluorophenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorobenzyl)-(2-thenoyl)amino]methyl]phenyl] ester Formula: C21H20FNO4S2 MolecularWeight: 433.516203

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H20FNO4S2/c1-2-29(25,26)27-19-6-3-5-17(13-19)15-23(21(24)20-7-4-12-28-20)14-16-8-10-18(22)11-9-16/h3-13H,2,14-15H2,1H3