[5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

InChI

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