2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 6-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 6-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid 2-(4-besylpiperazin-1-ium-1-yl)ethyl ester Formula: C23H25N2O7S+ MolecularWeight: 473.5188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O7S/c1-30-18-7-8-21-17(15-18)16-20(23(27)32-21)22(26)31-14-13-24-9-11-25(12-10-24)33(28,29)19-5-3-2-4-6-19/h2-8,15-16H,9-14H2,1H3/p+1