1-[7-(phenylsulfonyl)-7-azabicyclo[4.1.0]heptan-6-yl]non-1-yn-3-yl ethanoate

Systemtic Name: 1-[7-(phenylsulfonyl)-7-azabicyclo[4.1.0]heptan-6-yl]non-1-yn-3-yl ethanoate Openeye Name: 1-[2-[7-(benzenesulfonyl)-7-azabicyclo[4.1.0]heptan-6-yl]ethynyl]heptyl acetate CAS Name: acetic acid 1-[7-(benzenesulfonyl)-7-azabicyclo[4.1.0]heptan-6-yl]non-1-yn-3-yl ester IUPAC Name: 1-[7-(benzenesulfonyl)-7-azabicyclo[4.1.0]heptan-6-yl]non-1-yn-3-yl acetate Traditional Name: acetic acid [3-(7-besyl-7-azabicyclo[4.1.0]heptan-6-yl)-1-hexyl-prop-2-ynyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#CC12CCCCC1N2S(=O)(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCCCCC(C#CC12CCCCC1N2S(=O)(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C23H31NO4S/c1-3-4-5-7-12-20(28-19(2)25)16-18-23-17-11-10-15-22(23)24(23)29(26,27)21-13-8-6-9-14-21/h6,8-9,13-14,20,22H,3-5,7,10-12,15,17H2,1-2H3