N-[2-(4-methylphenyl)sulfonylethyl]-1-oxidanidyl-2-phenoxy-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonylethyl]-1-oxidanidyl-2-phenoxy-pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-2-phenoxy-N-[2-(p-tolylsulfonyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonylethyl]-1-oxido-2-phenoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonylethyl]-1-oxido-2-phenoxypyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-2-phenoxy-N-(2-tosylethyl)pyridin-1-ium-3-carboxamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)C2=C([N+](=CC=C2)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)C2=C([N+](=CC=C2)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-16-9-11-18(12-10-16)29(26,27)15-13-22-20(24)19-8-5-14-23(25)21(19)28-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,22,24)