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

Systemtic Name: 2-methyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H17N3O4S2/c1-14-4-7-17(22(23)24)11-19(14)28(25,26)21-16-5-8-18(9-6-16)27-13-15-3-2-10-20-12-15/h2-12,21H,13H2,1H3