2-[(4S,5R)-4-methylsulfonyl-2,3-bis(oxidanylidene)-5-phenyl-pyrrolidin-1-yl]ethylazanium

Systemtic Name: 2-[(4S,5R)-4-methylsulfonyl-2,3-bis(oxidanylidene)-5-phenyl-pyrrolidin-1-yl]ethylazanium Openeye Name: 2-[(4S,5R)-4-methylsulfonyl-2,3-dioxo-5-phenyl-pyrrolidin-1-yl]ethylammonium CAS Name: 2-[(4S,5R)-4-methylsulfonyl-2,3-dioxo-5-phenyl-1-pyrrolidinyl]ethylammonium IUPAC Name: 2-[(4S,5R)-4-methylsulfonyl-2,3-dioxo-5-phenylpyrrolidin-1-yl]ethylazanium Traditional Name: 2-[(4S,5R)-2,3-diketo-4-mesyl-5-phenyl-pyrrolidino]ethylammonium Formula: C13H17N2O4S+ MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1C(N(C(=O)C1=O)CC[NH3+])C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)[C@H]1[C@H](N(C(=O)C1=O)CC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O4S/c1-20(18,19)12-10(9-5-3-2-4-6-9)15(8-7-14)13(17)11(12)16/h2-6,10,12H,7-8,14H2,1H3/p+1/t10-,12+/m1/s1