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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-4-21(3)28(20-22-13-12-18-25(19-22)32-33(30,31)5-2)27(29)26(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-19,21,26H,4-5,20H2,1-3H3