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

Systemtic Name: [5-[[butan-2-yl(2-phenoxyethanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(2-phenoxyacetyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-(1-oxo-2-phenoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-phenoxyacetyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[(2-phenoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H29NO6S/c1-5-17(3)23(22(24)16-28-19-10-8-7-9-11-19)15-18-12-13-20(27-4)21(14-18)29-30(25,26)6-2/h7-14,17H,5-6,15-16H2,1-4H3