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

Systemtic Name: 3-methyl-1-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-12(20)4-3-11-25-14-5-7-15(8-6-14)26(23,24)19-10-9-18-13(2)16(19)17(21)22/h5-8,12-13,16,18,20H,9-11H2,1-2H3,(H,21,22)