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

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H26N3O5S+ MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C23H25N3O5S/c1-16-3-6-19(7-4-16)32(29,30)26-11-9-25(10-12-26)15-22(27)24-18-5-8-20-17(2)13-23(28)31-21(20)14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)/p+1