N-[2-oxidanylidene-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

Systemtic Name: N-[2-oxidanylidene-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide Openeye Name: N-[2-oxo-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide CAS Name: N-[2-oxo-2-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethylamino]ethyl]benzamide IUPAC Name: N-[2-oxo-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethylamino]ethyl]benzamide Formula: C20H26N5O4S+ MolecularWeight: 432.51654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4S/c26-19(16-23-20(27)17-6-2-1-3-7-17)22-10-15-30(28,29)25-13-11-24(12-14-25)18-8-4-5-9-21-18/h1-9H,10-16H2,(H,22,26)(H,23,27)/p+1