[(1R,2S)-2-(2-cyclohexa-1,4-dien-1-ylethylsulfonylamino)-1,2-diphenyl-ethyl] methanesulfonate

Systemtic Name: [(1R,2S)-2-(2-cyclohexa-1,4-dien-1-ylethylsulfonylamino)-1,2-diphenyl-ethyl] methanesulfonate Openeye Name: [(1R,2S)-2-(2-cyclohexa-1,4-dien-1-ylethylsulfonylamino)-1,2-diphenyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,2S)-2-[2-(1-cyclohexa-1,4-dienyl)ethylsulfonylamino]-1,2-diphenylethyl] ester IUPAC Name: [(1R,2S)-2-(2-cyclohexa-1,4-dien-1-ylethylsulfonylamino)-1,2-diphenylethyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2S)-2-(2-cyclohexa-1,4-dien-1-ylethylsulfonylamino)-1,2-diphenyl-ethyl] ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)NS(=O)(=O)CCC3=CCC=CC3

Isomeric SMILES

CS(=O)(=O)O[C@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NS(=O)(=O)CCC3=CCC=CC3

InChI

InChI=1S/C23H27NO5S2/c1-30(25,26)29-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)24-31(27,28)18-17-19-11-5-2-6-12-19/h2-5,7-10,12-16,22-24H,6,11,17-18H2,1H3/t22-,23+/m0/s1