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

Systemtic Name: [2-methoxy-5-[[(3-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[(3-methylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC(=C2)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC(=C2)C)OC

InChI

InChI=1S/C22H30N2O5S/c1-6-30(26,27)29-21-13-18(10-11-20(21)28-5)15-24(14-16(2)3)22(25)23-19-9-7-8-17(4)12-19/h7-13,16H,6,14-15H2,1-5H3,(H,23,25)