[(1S)-2-oxidanylidenecyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H23NO5S/c24-20-12-3-4-13-21(20)28-22(25)17-8-5-10-18(15-17)29(26,27)23-14-6-9-16-7-1-2-11-19(16)23/h1-2,5,7-8,10-11,15,21H,3-4,6,9,12-14H2/t21-/m0/s1