[3-[[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,6-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,6-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,6-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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