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

Systemtic Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 4-phenyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C22H25N2O2S2+ MolecularWeight: 413.5761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H24N2O2S2/c25-28(26,21-10-8-19(9-11-21)18-6-2-1-3-7-18)23-16-22(20-12-15-27-17-20)24-13-4-5-14-24/h1-3,6-12,15,17,22-23H,4-5,13-14,16H2/p+1/t22-/m1/s1