[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-phenyl-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-phenyl-2-(tosylamino)propyl] ester Formula: C23H25NO5S2 MolecularWeight: 459.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25NO5S2/c1-18-8-12-22(13-9-18)30(25,26)24-21(16-20-6-4-3-5-7-20)17-29-31(27,28)23-14-10-19(2)11-15-23/h3-15,21,24H,16-17H2,1-2H3/t21-/m0/s1