N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H27ClN3O3S2+ MolecularWeight: 469.04038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H26ClN3O3S2/c22-17-9-8-16(30(27,28)25-11-2-1-3-12-25)14-18(17)23-21(26)15-24-10-4-6-19(24)20-7-5-13-29-20/h5,7-9,13-14,19H,1-4,6,10-12,15H2,(H,23,26)/p+1/t19-/m1/s1