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

Systemtic Name: [3-[[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(o-tolylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2-methylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(o-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C21H28N2O4S/c1-5-28(25,26)27-19-11-8-10-18(13-19)15-23(14-16(2)3)21(24)22-20-12-7-6-9-17(20)4/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)