N-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-N-prop-2-ynyl-cyclohexanamine

Systemtic Name: N-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-N-prop-2-ynyl-cyclohexanamine Openeye Name: N-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-imidazol-4-yl]methyl]-N-prop-2-ynyl-cyclohexanamine CAS Name: N-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonyl-4-imidazolyl]methyl]-N-prop-2-ynylcyclohexanamine IUPAC Name: N-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-N-prop-2-ynylcyclohexanamine Traditional Name: cyclohexyl-[[3-(2-fluorobenzyl)-2-mesyl-imidazol-4-yl]methyl]-propargyl-amine Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)CN(CC#C)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)CN(CC#C)C3CCCCC3

InChI

InChI=1S/C21H26FN3O2S/c1-3-13-24(18-10-5-4-6-11-18)16-19-14-23-21(28(2,26)27)25(19)15-17-9-7-8-12-20(17)22/h1,7-9,12,14,18H,4-6,10-11,13,15-16H2,2H3