[4-[[2,2-diphenylethanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2,2-diphenylethanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,2-diphenylacetyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,2-diphenylacetyl)-isoamyl-amino]methyl]phenyl] ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-21(2)18-19-28(20-22-14-16-25(17-15-22)32-33(3,30)31)27(29)26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,21,26H,18-20H2,1-3H3