[(1S)-2-oxidanylidenecyclopentyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-oxocyclopentyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H]3CCCC3=O

InChI

InChI=1S/C18H23NO5S/c20-16-6-5-7-17(16)24-18(21)14-8-10-15(11-9-14)25(22,23)19-12-3-1-2-4-13-19/h8-11,17H,1-7,12-13H2/t17-/m0/s1