[4-[[(3,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,4-dimethylphenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O5S/c1-16-6-9-19(13-17(16)2)23-22(25)24(15-21-5-4-12-28-21)14-18-7-10-20(11-8-18)29-30(3,26)27/h6-11,13,21H,4-5,12,14-15H2,1-3H3,(H,23,25)