(2S)-1-(5-chloranylthiophen-2-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(5-chloranylthiophen-2-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(5-chloro-2-thiophenyl)sulfonyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C21H27ClN3O3S2+ MolecularWeight: 469.04038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26ClN3O3S2/c22-19-8-9-20(29-19)30(27,28)25-12-4-7-18(25)21(26)23-17-10-13-24(14-11-17)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,17-18H,4,7,10-15H2,(H,23,26)/p+1/t18-/m0/s1