[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H26FNO5S MolecularWeight: 447.519643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FNO5S/c1-17-7-12-20(31(28,29)25-13-3-2-4-14-25)16-21(17)23(27)30-15-5-6-22(26)18-8-10-19(24)11-9-18/h7-12,16H,2-6,13-15H2,1H3