N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide CAS Name: N-[(2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide Formula: C21H24FN4O2S2+ MolecularWeight: 447.569263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNS(=O)(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O2S2/c22-18-5-7-19(8-6-18)25-10-12-26(13-11-25)20(17-3-1-9-23-15-17)16-24-30(27,28)21-4-2-14-29-21/h1-9,14-15,20,24H,10-13,16H2/p+1/t20-/m0/s1