N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-4-propyl-benzenesulfonamide Openeye Name: N-[2-[(3-nitro-2-pyridyl)sulfanyl]phenyl]-4-propyl-benzenesulfonamide CAS Name: N-[2-[(3-nitro-2-pyridinyl)thio]phenyl]-4-propylbenzenesulfonamide IUPAC Name: N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-4-propylbenzenesulfonamide Traditional Name: N-[2-[(3-nitro-2-pyridyl)thio]phenyl]-4-propyl-benzenesulfonamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

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