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

Systemtic Name: 4-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S2/c22-21(23)16-5-9-18(10-6-16)27(24,25)20-15-3-7-17(8-4-15)26-13-14-2-1-11-19-12-14/h1-12,20H,13H2