[5-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-ethylphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-ethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-ethylphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O5S/c1-6-18-9-8-10-20(13-18)24-23(26)25(15-17(3)4)16-19-11-12-21(29-5)22(14-19)30-31(27,28)7-2/h8-14,17H,6-7,15-16H2,1-5H3,(H,24,26)