[(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 3-phenylpropanoate

Systemtic Name: [(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 3-phenylpropanoate Openeye Name: [(1S,2R)-1-(p-tolylsulfonylamino)indan-2-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] ester IUPAC Name: [(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1S,2R)-1-(tosylamino)indan-2-yl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=CC=CC=C23)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S/c1-18-11-14-21(15-12-18)31(28,29)26-25-22-10-6-5-9-20(22)17-23(25)30-24(27)16-13-19-7-3-2-4-8-19/h2-12,14-15,23,25-26H,13,16-17H2,1H3/t23-,25+/m1/s1