N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-4-pentyl-benzenesulfonamide

Systemtic Name: N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-4-pentyl-benzenesulfonamide Openeye Name: N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-4-pentyl-benzenesulfonamide CAS Name: N-[2-[2-(4-chlorophenyl)sulfonylethylthio]phenyl]-4-pentylbenzenesulfonamide IUPAC Name: N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-4-pentylbenzenesulfonamide Traditional Name: 4-amyl-N-[2-[2-(4-chlorophenyl)sulfonylethylthio]phenyl]benzenesulfonamide Formula: C25H28ClNO4S3 MolecularWeight: 538.14212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H28ClNO4S3/c1-2-3-4-7-20-10-14-23(15-11-20)34(30,31)27-24-8-5-6-9-25(24)32-18-19-33(28,29)22-16-12-21(26)13-17-22/h5-6,8-17,27H,2-4,7,18-19H2,1H3