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

Systemtic Name: 2,3-dimethyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c1-14-10-18(23(24)25)11-20(15(14)2)29(26,27)22-17-5-7-19(8-6-17)28-13-16-4-3-9-21-12-16/h3-12,22H,13H2,1-2H3