2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: 2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S2/c27-21(24-19-8-9-25(16-19)15-18-4-2-1-3-5-18)17-31-22-7-6-20(14-23-22)32(28,29)26-10-12-30-13-11-26/h1-7,14,19H,8-13,15-17H2,(H,24,27)/p+1/t19-/m0/s1