[3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[ethylcarbamoyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O4S/c1-3-21-19(23)22(13-15-8-10-17(20)11-9-15)14-16-6-5-7-18(12-16)26-27(24,25)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)