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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H24N2O6S/c1-17-22(23(27)28)25(15-14-24(17)18(2)26)32(29,30)21-12-10-20(11-13-21)31-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,22H,14-16H2,1-2H3,(H,27,28)