[(1S)-2-oxidanylidenecyclohexyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C19H25NO5S/c21-17-10-3-4-11-18(17)25-19(22)15-8-7-9-16(14-15)26(23,24)20-12-5-1-2-6-13-20/h7-9,14,18H,1-6,10-13H2/t18-/m0/s1