(3-propan-2-ylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3-propan-2-ylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-isopropylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid m-cumenyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27NO4S/c1-17(2)19-6-5-7-20(16-19)27-22(24)13-10-18-8-11-21(12-9-18)28(25,26)23-14-3-4-15-23/h5-9,11-12,16-17H,3-4,10,13-15H2,1-2H3