N-[4-chloranyl-2-[(4-methylphenyl)sulfonyl-phenyl-methyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-2-[(4-methylphenyl)sulfonyl-phenyl-methyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-chloro-2-[phenyl(p-tolylsulfonyl)methyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-chloro-2-[(4-methylphenyl)sulfonyl-phenylmethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-chloro-2-[(4-methylphenyl)sulfonyl-phenylmethyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-chloro-2-[phenyl(tosyl)methyl]phenyl]-4-methyl-benzenesulfonamide Formula: C27H24ClNO4S2 MolecularWeight: 526.06676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24ClNO4S2/c1-19-8-13-23(14-9-19)34(30,31)27(21-6-4-3-5-7-21)25-18-22(28)12-17-26(25)29-35(32,33)24-15-10-20(2)11-16-24/h3-18,27,29H,1-2H3