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

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-chloro-4-cyano-phenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (2-chloro-4-cyano-phenyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN2O4S/c21-18-13-16(14-22)5-9-19(18)27-20(24)10-6-15-3-7-17(8-4-15)28(25,26)23-11-1-2-12-23/h3-5,7-9,13H,1-2,6,10-12H2