[4-[[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-bromophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-bromoanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-bromophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H23BrN2O4S/c1-14(2)12-22(19(23)21-17-6-4-5-16(20)11-17)13-15-7-9-18(10-8-15)26-27(3,24)25/h4-11,14H,12-13H2,1-3H3,(H,21,23)