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

Systemtic Name: 4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S/c26-23-15-19(21-13-17-5-4-6-18(17)14-22(21)29-23)16-24-9-11-25(12-10-24)30(27,28)20-7-2-1-3-8-20/h1-3,7-8,13-15H,4-6,9-12,16H2/p+1