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

Systemtic Name: [3-[[(4-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-ethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-17-9-11-19(12-10-17)22-21(24)23(13-14-27-3)16-18-7-6-8-20(15-18)28-29(25,26)5-2/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,24)