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

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 10,10-dioxo-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]thioxanthen-9-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-(4-tosylpiperazine-1-carbonyl)thioxanthen-9-one Formula: C25H22N2O6S2 MolecularWeight: 510.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H22N2O6S2/c1-17-6-9-19(10-7-17)35(32,33)27-14-12-26(13-15-27)25(29)18-8-11-21-23(16-18)34(30,31)22-5-3-2-4-20(22)24(21)28/h2-11,16H,12-15H2,1H3