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

Systemtic Name: 1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]ethanone Traditional Name: 2-besyl-1-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]ethanone Formula: C33H38ClNO3S MolecularWeight: 564.17772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)NCCCCCCCCCCCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)NCCCCCCCCCCCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C33H38ClNO3S/c34-30-22-18-28(19-23-30)15-11-8-6-4-2-1-3-5-7-9-14-26-35-31-24-20-29(21-25-31)33(36)27-39(37,38)32-16-12-10-13-17-32/h10,12-13,16-25,35H,1-9,14,26-27H2