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

Systemtic Name: [4-[[3-methylbutyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzylcarbamoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzylcarbamoyl(isoamyl)amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-17(2)13-14-23(21(24)22-15-18-7-5-4-6-8-18)16-19-9-11-20(12-10-19)27-28(3,25)26/h4-12,17H,13-16H2,1-3H3,(H,22,24)