1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-14-17(18(22)23)21(12-11-20-14)27(24,25)16-8-6-15(7-9-16)26-13-5-10-19(2,3)4/h6-9,14,17,20H,11-13H2,1-4H3,(H,22,23)