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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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