(3S)-1-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonyl]nipecotic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C11H15N3O6S/c1-6-8(9(15)13-11(18)12-6)21(19,20)14-4-2-3-7(5-14)10(16)17/h7H,2-5H2,1H3,(H,16,17)(H2,12,13,15,18)/t7-/m0/s1