[5-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,4-dimethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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)OC)OS(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-15-6-8-18(12-16(15)2)22-21(24)23(10-11-27-3)14-17-7-9-19(28-4)20(13-17)29-30(5,25)26/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)