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

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H24N5O5S+ MolecularWeight: 446.50006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-14-9-20(27)30-18-10-15(3-4-17(14)18)22-19(26)13-24-5-7-25(8-6-24)31(28,29)16-11-21-23(2)12-16/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,26)/p+1