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

Systemtic Name: 4-oxidanylidene-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]chromene-2-carboxamide Openeye Name: 4-oxo-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]chromene-2-carboxamide CAS Name: 4-oxo-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]chromene-2-carboxamide Formula: C21H23N4O5S+ MolecularWeight: 443.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O5S/c26-17-15-19(30-18-6-2-1-5-16(17)18)21(27)23-9-14-31(28,29)25-12-10-24(11-13-25)20-7-3-4-8-22-20/h1-8,15H,9-14H2,(H,23,27)/p+1