10,10-bis(oxidanylidene)-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-besylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C24H20N2O6S2 MolecularWeight: 496.5554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H20N2O6S2/c27-23-19-8-4-5-9-21(19)33(29,30)22-16-17(10-11-20(22)23)24(28)25-12-14-26(15-13-25)34(31,32)18-6-2-1-3-7-18/h1-11,16H,12-15H2