[2-chloranyl-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methoxy-5-nitro-phenyl)azanide

Systemtic Name: [2-chloranyl-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methoxy-5-nitro-phenyl)azanide Openeye Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methoxy-5-nitro-phenyl)azanide CAS Name: [2-chloro-5-[oxo-(3-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-(2-methoxy-5-nitrophenyl)azanide IUPAC Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methoxy-5-nitrophenyl)azanide Traditional Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methoxy-5-nitro-phenyl)azanide Formula: C20H17ClN4O6S MolecularWeight: 476.89018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=C[NH+]=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=C[NH+]=CC=C3)Cl

InChI

InChI=1S/C20H16ClN4O6S/c1-31-18-7-5-15(25(27)28)10-17(18)24-32(29,30)19-9-14(4-6-16(19)21)20(26)23-12-13-3-2-8-22-11-13/h2-11H,12H2,1H3,(H,23,26)/q-1/p+1