N-[2-(5-chloranyl-2-methyl-phenyl)sulfanylpyridin-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(5-chloranyl-2-methyl-phenyl)sulfanylpyridin-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(5-chloro-2-methyl-phenyl)sulfanyl-3-pyridyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[(5-chloro-2-methylphenyl)thio]-3-pyridinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(5-chloro-2-methylphenyl)sulfanylpyridin-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(5-chloro-2-methyl-phenyl)thio]-3-pyridyl]-4-nitro-benzenesulfonamide Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)SC2=C(C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)SC2=C(C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O4S2/c1-12-4-5-13(19)11-17(12)27-18-16(3-2-10-20-18)21-28(25,26)15-8-6-14(7-9-15)22(23)24/h2-11,21H,1H3