4-chloranyl-2,5-dimethyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Openeye Name: 4-chloro-2,5-dimethyl-N-[2-[(3-nitro-2-pyridyl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 4-chloro-2,5-dimethyl-N-[2-[(3-nitro-2-pyridinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: 4-chloro-2,5-dimethyl-N-[2-[(3-nitro-2-pyridyl)thio]phenyl]benzenesulfonamide Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O4S2/c1-12-11-18(13(2)10-14(12)20)29(26,27)22-15-6-3-4-8-17(15)28-19-16(23(24)25)7-5-9-21-19/h3-11,22H,1-2H3