[3-[[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3,4-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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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(=C(C=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-6-29(26,27)28-21-9-7-8-19(13-21)15-24(14-16(2)3)22(25)23-20-11-10-17(4)18(5)12-20/h7-13,16H,6,14-15H2,1-5H3,(H,23,25)