[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-propyl] cyclohexanesulfinate

Systemtic Name: [(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-propyl] cyclohexanesulfinate Openeye Name: [(1R,2S)-1-phenyl-2-(p-tolylsulfonylamino)propyl] cyclohexanesulfinate CAS Name: cyclohexanesulfinic acid [(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylpropyl] cyclohexanesulfinate Traditional Name: cyclohexanesulfinic acid [(1R,2S)-1-phenyl-2-(tosylamino)propyl] ester Formula: C22H29NO4S2 MolecularWeight: 435.59996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CC=C2)OS(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)O[S@](=O)C3CCCCC3

InChI

InChI=1S/C22H29NO4S2/c1-17-13-15-21(16-14-17)29(25,26)23-18(2)22(19-9-5-3-6-10-19)27-28(24)20-11-7-4-8-12-20/h3,5-6,9-10,13-16,18,20,22-23H,4,7-8,11-12H2,1-2H3/t18-,22-,28-/m0/s1