[(1S)-2-oxidanylidenecyclopentyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [(1S)-2-oxocyclopentyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5S/c19-14-9-8-13(18(22)25-16-7-5-6-15(16)21)12-17(14)26(23,24)20-10-3-1-2-4-11-20/h8-9,12,16H,1-7,10-11H2/t16-/m0/s1