[2-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[(4-fluorophenyl)methyl-(isopropylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[(4-fluorophenyl)methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[(4-fluorobenzyl)-(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)NC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)NC(C)C

InChI

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