[2-methoxy-5-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[(2-benzyloxyacetyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2-benzoxyacetyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)COCC2=CC=CC=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)COCC2=CC=CC=C2)OC

InChI

InChI=1S/C23H31NO6S/c1-5-31(26,27)30-22-13-20(11-12-21(22)28-4)15-24(14-18(2)3)23(25)17-29-16-19-9-7-6-8-10-19/h6-13,18H,5,14-17H2,1-4H3