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

Systemtic Name: [4-[[3-methoxypropyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzylcarbamoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzylcarbamoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzylcarbamoyl(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-26-14-6-13-22(20(23)21-15-17-7-4-3-5-8-17)16-18-9-11-19(12-10-18)27-28(2,24)25/h3-5,7-12H,6,13-16H2,1-2H3,(H,21,23)