[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-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=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO5S/c22-18-10-8-16(9-11-18)20(24)7-4-14-28-21(25)17-5-3-6-19(15-17)29(26,27)23-12-1-2-13-23/h3,5-6,8-11,15H,1-2,4,7,12-14H2