[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C21H27FN3O2S2+ MolecularWeight: 436.586383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+](C)C(C)C3=CC=CS3

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH+](C)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H26FN3O2S2/c1-15(2)29(26,27)21-23-12-18(14-24(4)16(3)20-10-7-11-28-20)25(21)13-17-8-5-6-9-19(17)22/h5-12,15-16H,13-14H2,1-4H3/p+1/t16-/m1/s1