4-fluoranyl-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-fluoro-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-fluoro-3-methyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-fluoro-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-fluoro-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C17H22FN2O2S2+ MolecularWeight: 369.497183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCC3)F

InChI

InChI=1S/C17H21FN2O2S2/c1-13-10-15(4-5-16(13)18)24(21,22)19-11-17(14-6-9-23-12-14)20-7-2-3-8-20/h4-6,9-10,12,17,19H,2-3,7-8,11H2,1H3/p+1/t17-/m1/s1