4-nitro-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-benzenesulfonamide

Systemtic Name: 4-nitro-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-benzenesulfonamide Openeye Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-yl-benzenesulfonamide CAS Name: 4-nitro-N-(phenylmethyl)-N-(2-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-ylbenzenesulfonamide Traditional Name: N-benzyl-4-nitro-N-pyridin-1-ium-2-yl-benzenesulfonamide Formula: C18H16N3O4S+ MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c22-21(23)16-9-11-17(12-10-16)26(24,25)20(18-8-4-5-13-19-18)14-15-6-2-1-3-7-15/h1-13H,14H2/p+1