4-methoxy-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]phenyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]phenyl]benzenesulfonamide CAS Name: 4-methoxy-N-[2-[(4-methylsulfonylphenyl)methylthio]phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]phenyl]benzenesulfonamide Traditional Name: N-[2-[(4-mesylbenzyl)thio]phenyl]-4-methoxy-benzenesulfonamide Formula: C21H21NO5S3 MolecularWeight: 463.59014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21NO5S3/c1-27-17-9-13-19(14-10-17)30(25,26)22-20-5-3-4-6-21(20)28-15-16-7-11-18(12-8-16)29(2,23)24/h3-14,22H,15H2,1-2H3