N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-mesyl-benzenesulfonamide Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22FNO4S2/c1-3-16-7-9-17(10-8-16)22(18-5-4-6-19(23)15-18)24-30(27,28)21-13-11-20(12-14-21)29(2,25)26/h4-15,22,24H,3H2,1-2H3