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

Systemtic Name: 4-nitro-N-[(1S)-4-oxidanylidenecyclohept-2-en-1-yl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-nitro-N-[(1S)-4-oxocyclohept-2-en-1-yl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-nitro-N-[(1S)-4-oxo-1-cyclohept-2-enyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-nitro-N-[(1S)-4-oxocyclohept-2-en-1-yl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: N-[(1S)-4-ketocyclohept-2-en-1-yl]-4-nitro-N-propargyl-benzenesulfonamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1CCCC(=O)C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-2-12-17(13-4-3-5-15(19)9-6-13)24(22,23)16-10-7-14(8-11-16)18(20)21/h1,6-11,13H,3-5,12H2/t13-/m0/s1