2-[2-aminocarbonyl-2-methyl-3-(phenylsulfonyl)-1,3-thiazolidin-3-ium-3-yl]ethanoate

Systemtic Name: 2-[2-aminocarbonyl-2-methyl-3-(phenylsulfonyl)-1,3-thiazolidin-3-ium-3-yl]ethanoate Openeye Name: 2-[3-(benzenesulfonyl)-2-carbamoyl-2-methyl-thiazolidin-3-ium-3-yl]acetate CAS Name: 2-[3-(benzenesulfonyl)-2-carbamoyl-2-methyl-3-thiazolidin-3-iumyl]acetate IUPAC Name: 2-[3-(benzenesulfonyl)-2-carbamoyl-2-methyl-1,3-thiazolidin-3-ium-3-yl]acetate Traditional Name: 2-(3-besyl-2-carbamoyl-2-methyl-thiazolidin-3-ium-3-yl)acetate Formula: C13H16N2O5S2 MolecularWeight: 344.40654

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Descriptors Computed from Structure

Canonical SMILES:

CC1([N+](CCS1)(CC(=O)[O-])S(=O)(=O)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC1([N+](CCS1)(CC(=O)[O-])S(=O)(=O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C13H16N2O5S2/c1-13(12(14)18)15(7-8-21-13,9-11(16)17)22(19,20)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2-,14,16,17,18)