N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methyl-2-oxo-chromen-7-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-keto-4-methyl-chromen-7-yl)acetamide Formula: C22H24N3O5S+ MolecularWeight: 442.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-16-13-22(27)30-20-14-17(7-8-19(16)20)23-21(26)15-24-9-11-25(12-10-24)31(28,29)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)/p+1