[4-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O4S/c1-4-22-20(24)23(13-15(2)3)14-16-5-9-18(10-6-16)27-28(25,26)19-11-7-17(21)8-12-19/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)