N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-aniline; methylsulfonylbenzene

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-aniline; methylsulfonylbenzene Openeye Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-aniline; methylsulfonylbenzene CAS Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonylaniline; methylsulfonylbenzene IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonylaniline; methylsulfonylbenzene Traditional Name: (4-fluorobenzyl)-(4-mesylphenyl)amine; mesylbenzene Formula: C21H22FNO4S2 MolecularWeight: 435.532083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1.CS(=O)(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1.CS(=O)(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FNO2S.C7H8O2S/c1-19(17,18)14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11;1-10(8,9)7-5-3-2-4-6-7/h2-9,16H,10H2,1H3;2-6H,1H3