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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H26FNO5S/c24-20-11-7-18(8-12-20)22(26)6-5-17-30-23(27)19-9-13-21(14-10-19)31(28,29)25-15-3-1-2-4-16-25/h7-14H,1-6,15-17H2