[4-[[(3-fluorophenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-fluorophenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-fluoroanilino)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F

InChI

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