2,2-dimethyl-3-(4-propanoylpiperazin-1-yl)sulfonyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-propanoylpiperazin-1-yl)sulfonyl-propanoic acid Openeye Name: 2,2-dimethyl-3-(4-propanoylpiperazin-1-yl)sulfonyl-propanoic acid CAS Name: 2,2-dimethyl-3-[[4-(1-oxopropyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-(4-propanoylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 2,2-dimethyl-3-(4-propionylpiperazino)sulfonyl-propionic acid Formula: C12H22N2O5S MolecularWeight: 306.37848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)S(=O)(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1)S(=O)(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C12H22N2O5S/c1-4-10(15)13-5-7-14(8-6-13)20(18,19)9-12(2,3)11(16)17/h4-9H2,1-3H3,(H,16,17)