[2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[(3-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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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=CC(=CC=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S/c1-6-31(26,27)30-21-12-17(10-11-20(21)29-5)15-24(14-16(2)3)22(25)23-18-8-7-9-19(13-18)28-4/h7-13,16H,6,14-15H2,1-5H3,(H,23,25)