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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H26FNO5S MolecularWeight: 447.519643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FNO5S/c24-20-12-10-18(11-13-20)22(26)9-6-16-30-23(27)19-7-5-8-21(17-19)31(28,29)25-14-3-1-2-4-15-25/h5,7-8,10-13,17H,1-4,6,9,14-16H2