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

Systemtic Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[ethylcarbamoyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C24H25FN2O5S MolecularWeight: 472.529103

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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)C3=CC=C(C=C3)OC

Isomeric SMILES

CCNC(=O)N(CC1=CC=C(C=C1)F)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H25FN2O5S/c1-3-26-24(28)27(16-18-7-9-20(25)10-8-18)17-19-5-4-6-22(15-19)32-33(29,30)23-13-11-21(31-2)12-14-23/h4-15H,3,16-17H2,1-2H3,(H,26,28)