2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C23H29N4O3S2+ MolecularWeight: 473.63136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C23H28N4O3S2/c28-23-22-20(10-15-31-22)24-21(25-23)16-26-11-13-27(14-12-26)32(29,30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-10,15,17H,1-5,11-14,16H2,(H,24,25,28)/p+1