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

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C20H26N2O5S/c1-15-5-8-18(13-16(15)2)21-20(23)22(11-12-26-3)14-17-6-9-19(10-7-17)27-28(4,24)25/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)