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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C23H31NO6S/c1-5-18(3)24(23(25)17-29-16-19-10-8-7-9-11-19)15-20-12-13-21(28-4)22(14-20)30-31(26,27)6-2/h7-14,18H,5-6,15-17H2,1-4H3