(4-propanoylphenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-propanoylphenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-propanoylphenyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-propionylphenyl) ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5S/c1-2-18(23)14-5-8-16(9-6-14)27-20(24)15-7-10-17(21)19(13-15)28(25,26)22-11-3-4-12-22/h5-10,13H,2-4,11-12H2,1H3