[4-[[butan-2-yl(2,2-diphenylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butan-2-yl(2,2-diphenylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2,2-diphenylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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