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

Systemtic Name: [2-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[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=C2OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCNC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

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