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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClNO5S/c20-15-10-9-14(19(23)26-17-8-4-3-7-16(17)22)13-18(15)27(24,25)21-11-5-1-2-6-12-21/h9-10,13,17H,1-8,11-12H2/t17-/m0/s1