[2-[[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[tert-butylcarbamoyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2OS(=O)(=O)C

InChI

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