[4-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2-benzoxyacetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-4-29(25,26)28-21-12-10-19(11-13-21)15-23(14-18(2)3)22(24)17-27-16-20-8-6-5-7-9-20/h5-13,18H,4,14-17H2,1-3H3