1-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[2-(tert-butylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[[1-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethyl-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[1-[2-(tert-butylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylisonipecotic acid Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)(C)C)C)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(C)(C)C)C)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H28N4O5S/c1-11-15(12(2)21(19-11)10-14(22)18-17(3,4)5)27(25,26)20-8-6-13(7-9-20)16(23)24/h13H,6-10H2,1-5H3,(H,18,22)(H,23,24)