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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H25ClFNO5S MolecularWeight: 481.964703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClFNO5S/c24-20-12-9-18(16-22(20)32(29,30)26-13-3-1-2-4-14-26)23(28)31-15-5-6-21(27)17-7-10-19(25)11-8-17/h7-12,16H,1-6,13-15H2