N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CO4

InChI

InChI=1S/C22H29N3O4S/c26-22(18-8-10-19(11-9-18)30(27,28)25-14-4-5-15-25)23-17-20(21-7-6-16-29-21)24-12-2-1-3-13-24/h6-11,16,20H,1-5,12-15,17H2,(H,23,26)/p+1/t20-/m0/s1