3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-(brosylamino)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C23H25BrN3O4S+ MolecularWeight: 519.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C23H24BrN3O4S/c24-18-8-10-20(11-9-18)32(29,30)26-19-6-3-5-17(15-19)23(28)25-16-21(22-7-4-14-31-22)27-12-1-2-13-27/h3-11,14-15,21,26H,1-2,12-13,16H2,(H,25,28)/p+1/t21-/m0/s1