N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]benzenesulfonamide CAS Name: N-[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]benzenesulfonamide Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c21-20(22)15-7-4-10-17-16(15)19-11-8-13(9-12-19)18-25(23,24)14-5-2-1-3-6-14/h1-7,10,13,18H,8-9,11-12H2/p+1