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

Systemtic Name: [3-[[2,2-diphenylethanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4S/c1-4-33(30,31)32-25-17-11-12-22(18-25)20-28(19-21(2)3)27(29)26(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21,26H,4,19-20H2,1-3H3