[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H21ClFNO5S MolecularWeight: 453.911543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H21ClFNO5S/c22-18-10-7-16(14-20(18)30(27,28)24-11-1-2-12-24)21(26)29-13-3-4-19(25)15-5-8-17(23)9-6-15/h5-10,14H,1-4,11-13H2