4-nitro-N-[(1S)-4-oxidanylidenecyclohex-2-en-1-yl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-nitro-N-[(1S)-4-oxidanylidenecyclohex-2-en-1-yl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-nitro-N-[(1S)-4-oxocyclohex-2-en-1-yl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-nitro-N-[(1S)-4-oxo-1-cyclohex-2-enyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-nitro-N-[(1S)-4-oxocyclohex-2-en-1-yl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: N-[(1S)-4-ketocyclohex-2-en-1-yl]-4-nitro-N-propargyl-benzenesulfonamide Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1CCC(=O)C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCN([C@H]1CCC(=O)C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-2-11-16(12-3-7-14(18)8-4-12)23(21,22)15-9-5-13(6-10-15)17(19)20/h1,3,5-7,9-10,12H,4,8,11H2/t12-/m1/s1