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

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H28N3O5S2+ MolecularWeight: 466.59412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N3O5S2/c1-28-18-7-6-16(14-20(18)31(26,27)24-9-11-29-12-10-24)22-21(25)15-23-8-2-4-17(23)19-5-3-13-30-19/h3,5-7,13-14,17H,2,4,8-12,15H2,1H3,(H,22,25)/p+1/t17-/m0/s1