[5-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(1-oxo-2,2-diphenylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H31NO5S/c1-5-34(30,31)33-25-18-21(16-17-24(25)32-4)19-28(20(2)3)27(29)26(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-18,20,26H,5,19H2,1-4H3