2-bromanyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br)C4=CC=CO4

InChI

InChI=1S/C21H26BrN3O4S/c22-18-8-7-16(30(27,28)25-11-3-4-12-25)14-17(18)21(26)23-15-19(20-6-5-13-29-20)24-9-1-2-10-24/h5-8,13-14,19H,1-4,9-12,15H2,(H,23,26)/p+1/t19-/m0/s1