[5-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2,4-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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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=C(C=C(C=C2)C)C)OC

Isomeric SMILES

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

InChI

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