2-(4-ethylsulfonylpiperazin-1-ium-1-yl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)ethanamide

Systemtic Name: 2-(4-ethylsulfonylpiperazin-1-ium-1-yl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)ethanamide Openeye Name: 2-(4-ethylsulfonylpiperazin-1-ium-1-yl)-N-(4-methyl-2-oxo-chromen-7-yl)acetamide CAS Name: 2-(4-ethylsulfonyl-1-piperazin-1-iumyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)acetamide IUPAC Name: 2-(4-ethylsulfonylpiperazin-1-ium-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide Traditional Name: 2-(4-esylpiperazin-1-ium-1-yl)-N-(2-keto-4-methyl-chromen-7-yl)acetamide Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C18H23N3O5S/c1-3-27(24,25)21-8-6-20(7-9-21)12-17(22)19-14-4-5-15-13(2)10-18(23)26-16(15)11-14/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,19,22)/p+1