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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(isopropylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(4-fluorobenzyl)-(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O4S/c1-15(2)23-21(25)24(13-17-5-9-19(22)10-6-17)14-18-7-11-20(12-8-18)28-29(26,27)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)