[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO5S/c22-18-9-5-16(6-10-18)20(24)4-3-15-28-21(25)17-7-11-19(12-8-17)29(26,27)23-13-1-2-14-23/h5-12H,1-4,13-15H2