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

Systemtic Name: 4-chloranyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C16H20ClN2O2S2+ MolecularWeight: 371.9252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CSC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CSC=C3

InChI

InChI=1S/C16H19ClN2O2S2/c17-14-3-5-15(6-4-14)23(20,21)18-11-16(13-7-10-22-12-13)19-8-1-2-9-19/h3-7,10,12,16,18H,1-2,8-9,11H2/p+1/t16-/m1/s1