N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C20H27N3O4S2/c24-20(21-15-17(18-5-3-13-27-18)22-9-1-2-10-22)16-7-11-23(12-8-16)29(25,26)19-6-4-14-28-19/h3-6,13-14,16-17H,1-2,7-12,15H2,(H,21,24)/p+1/t17-/m0/s1