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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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