[3-[[(4-ethylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-ethylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-ethylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-ethylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-4-17-9-11-19(12-10-17)21(23)22(13-14-26-3)16-18-7-6-8-20(15-18)27-28(24,25)5-2/h6-12,15H,4-5,13-14,16H2,1-3H3