(2-chloranyl-5-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-chloro-5-methyl-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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