[3-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(1-oxo-2,2-diphenylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-4-32(29,30)31-24-17-11-12-21(18-24)19-27(20(2)3)26(28)25(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,20,25H,4,19H2,1-3H3