3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-nitro-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-nitro-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C18H22N5O5S+ MolecularWeight: 420.46278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S/c24-18(15-4-3-5-16(14-15)23(25)26)20-8-13-29(27,28)22-11-9-21(10-12-22)17-6-1-2-7-19-17/h1-7,14H,8-13H2,(H,20,24)/p+1