cyclohexyl-[(4-fluorophenyl)methyl]-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclohexyl-(4-fluorobenzyl)-[2-keto-2-(3-mesylanilino)ethyl]ammonium Formula: C22H28FN2O3S+ MolecularWeight: 419.532723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C22H27FN2O3S/c1-29(27,28)21-9-5-6-19(14-21)24-22(26)16-25(20-7-3-2-4-8-20)15-17-10-12-18(23)13-11-17/h5-6,9-14,20H,2-4,7-8,15-16H2,1H3,(H,24,26)/p+1