[(1S)-2-oxidanylidenecyclohexyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C19H24N2O6S/c1-14(22)20-9-11-21(12-10-20)28(25,26)16-6-4-5-15(13-16)19(24)27-18-8-3-2-7-17(18)23/h4-6,13,18H,2-3,7-12H2,1H3/t18-/m0/s1