4-[3-(2-bromanylethanoyl)-4-propoxy-phenyl]sulfonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[3-(2-bromanylethanoyl)-4-propoxy-phenyl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[3-(2-bromoacetyl)-4-propoxy-phenyl]sulfonylpiperazine-1-carboxylic acid CAS Name: 4-[3-(2-bromo-1-oxoethyl)-4-propoxyphenyl]sulfonyl-1-piperazinecarboxylic acid IUPAC Name: 4-[3-(2-bromoacetyl)-4-propoxyphenyl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[3-(2-bromoacetyl)-4-propoxy-phenyl]sulfonylpiperazine-1-carboxylic acid Formula: C16H21BrN2O6S MolecularWeight: 449.31674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)O)C(=O)CBr

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)O)C(=O)CBr

InChI

InChI=1S/C16H21BrN2O6S/c1-2-9-25-15-4-3-12(10-13(15)14(20)11-17)26(23,24)19-7-5-18(6-8-19)16(21)22/h3-4,10H,2,5-9,11H2,1H3,(H,21,22)