2-oxidanylidene-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide Openeye Name: 2-oxo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide CAS Name: 2-oxo-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide Traditional Name: 2-keto-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]chromene-3-carboxamide Formula: C22H25N4O5S+ MolecularWeight: 457.5227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H24N4O5S/c27-21(18-16-17-6-1-2-7-19(17)31-22(18)28)24-10-5-15-32(29,30)26-13-11-25(12-14-26)20-8-3-4-9-23-20/h1-4,6-9,16H,5,10-15H2,(H,24,27)/p+1