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

Systemtic Name: [4-[[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-fluorophenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-fluoroanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-fluorophenyl)carbamoyl-isoamyl-amino]methyl]phenyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C20H25FN2O4S/c1-15(2)11-12-23(20(24)22-18-6-4-5-17(21)13-18)14-16-7-9-19(10-8-16)27-28(3,25)26/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)