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

Systemtic Name: 4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H24N3O6S+ MolecularWeight: 470.51816

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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[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6S/c27-23-14-18(19-12-16-4-3-5-17(16)13-21(19)32-23)15-24-8-10-25(11-9-24)33(30,31)22-7-2-1-6-20(22)26(28)29/h1-2,6-7,12-14H,3-5,8-11,15H2/p+1