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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)O

InChI

InChI=1S/C18H22N2O7S/c1-13-17(18(23)24)20(10-9-19(13)14(2)22)28(25,26)16-7-5-15(6-8-16)27-12-4-3-11-21/h5-8,13,17,21H,9-12H2,1-2H3,(H,23,24)