N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H29N3O4S2/c1-2-29-19-10-9-17(15-21(19)31(27,28)25-12-3-4-13-25)23-22(26)16-24-11-5-7-18(24)20-8-6-14-30-20/h6,8-10,14-15,18H,2-5,7,11-13,16H2,1H3,(H,23,26)/p+1/t18-/m0/s1