2-[[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 2-[[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C20H33ClN4O5S MolecularWeight: 477.01782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(C)CC(CCC(C)C)(C(=O)N2CCCCC2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(C)CC(CCC(C)C)(C(=O)N2CCCCC2)C(=O)O)Cl)C

InChI

InChI=1S/C20H33ClN4O5S/c1-14(2)9-10-20(19(27)28,18(26)25-11-7-6-8-12-25)13-23(4)31(29,30)16-15(3)22-24(5)17(16)21/h14H,6-13H2,1-5H3,(H,27,28)