[4-[[(2-fluorophenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2-fluorophenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-fluoroanilino)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O4S/c1-30(27,28)29-19-13-11-18(12-14-19)16-25(15-17-7-3-2-4-8-17)22(26)24-21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3,(H,24,26)