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

Systemtic Name: [5-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,4-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2,4-dimethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,4-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O7S MolecularWeight: 480.57438

Click to see the large picture

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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O7S/c1-7-33(27,28)32-22-12-17(8-11-20(22)30-5)15-25(14-16(2)3)23(26)24-19-10-9-18(29-4)13-21(19)31-6/h8-13,16H,7,14-15H2,1-6H3,(H,24,26)