3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c27-23(24-18-21(22-4-3-17-31-22)25-11-1-2-12-25)10-7-19-5-8-20(9-6-19)32(28,29)26-13-15-30-16-14-26/h3-6,8-9,17,21H,1-2,7,10-16,18H2,(H,24,27)/p+1/t21-/m0/s1