4-butyl-N-[2-(4-chlorophenyl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[2-(4-chlorophenyl)sulfanylphenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[2-(4-chlorophenyl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-butyl-N-[2-[(4-chlorophenyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[2-(4-chlorophenyl)sulfanylphenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[2-[(4-chlorophenyl)thio]phenyl]benzenesulfonamide Formula: C22H22ClNO2S2 MolecularWeight: 431.99858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO2S2/c1-2-3-6-17-9-15-20(16-10-17)28(25,26)24-21-7-4-5-8-22(21)27-19-13-11-18(23)12-14-19/h4-5,7-16,24H,2-3,6H2,1H3