1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinyl-ethanone

Systemtic Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinyl-ethanone Openeye Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinyl-ethanone CAS Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinylethanone IUPAC Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinylethanone Traditional Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-methylsulfinyl-ethanone Formula: C28H36ClNO2S MolecularWeight: 486.10894

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)CC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C28H36ClNO2S/c1-33(32)23-28(31)25-16-20-27(21-17-25)30-22-12-10-8-6-4-2-3-5-7-9-11-13-24-14-18-26(29)19-15-24/h14-21,30H,2-10,12,22-23H2,1H3