2-methoxy-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 2-methoxy-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 2-methoxy-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 2-methoxy-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H17N3O5S2/c1-27-18-9-6-16(22(23)24)11-19(18)29(25,26)21-15-4-7-17(8-5-15)28-13-14-3-2-10-20-12-14/h2-12,21H,13H2,1H3