[5-[[(4-ethylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-ethylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-ethylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

InChI

InChI=1S/C21H27NO6S/c1-5-16-6-9-18(10-7-16)21(23)22(12-13-26-2)15-17-8-11-19(27-3)20(14-17)28-29(4,24)25/h6-11,14H,5,12-13,15H2,1-4H3