3-(2-bromanylethanoyl)-2-(4-propoxyphenyl)sulfonyl-piperazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)C2C(NCCN2C(=O)O)C(=O)CBr

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)C2C(NCCN2C(=O)O)C(=O)CBr

InChI

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