[(1R,2R)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-1-phenyl-propyl] cyclobutanecarboxylate

Systemtic Name: [(1R,2R)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-1-phenyl-propyl] cyclobutanecarboxylate Openeye Name: [(1R,2R)-2-[methyl(p-tolylsulfonyl)amino]-1-phenyl-propyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [(1R,2R)-2-[methyl-(4-methylphenyl)sulfonylamino]-1-phenylpropyl] ester IUPAC Name: [(1R,2R)-2-[methyl-(4-methylphenyl)sulfonylamino]-1-phenylpropyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [(1R,2R)-2-[methyl(tosyl)amino]-1-phenyl-propyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)C(C2=CC=CC=C2)OC(=O)C3CCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@H](C)[C@@H](C2=CC=CC=C2)OC(=O)C3CCC3

InChI

InChI=1S/C22H27NO4S/c1-16-12-14-20(15-13-16)28(25,26)23(3)17(2)21(18-8-5-4-6-9-18)27-22(24)19-10-7-11-19/h4-6,8-9,12-15,17,19,21H,7,10-11H2,1-3H3/t17-,21+/m1/s1