4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H24ClN2O4S+ MolecularWeight: 459.96566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN2O4S/c24-19-4-6-20(7-5-19)31(28,29)26-10-8-25(9-11-26)15-18-14-23(27)30-22-13-17-3-1-2-16(17)12-21(18)22/h4-7,12-14H,1-3,8-11,15H2/p+1