N-[4-chloranyl-5-nitro-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-5-nitro-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-chloro-5-nitro-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-chloro-5-nitro-2-(2-phenylethynyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-chloro-5-nitro-2-(2-phenylethynyl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-chloro-5-nitro-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C#CC3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C#CC3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O4S/c1-15-7-11-18(12-8-15)29(27,28)23-20-14-21(24(25)26)19(22)13-17(20)10-9-16-5-3-2-4-6-16/h2-8,11-14,23H,1H3