(4-chloranyl-2-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (4-chloro-2-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22ClNO4S/c1-15-14-17(21)7-10-19(15)26-20(23)11-6-16-4-8-18(9-5-16)27(24,25)22-12-2-3-13-22/h4-5,7-10,14H,2-3,6,11-13H2,1H3