5-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-(2-bromophenyl)sulfonyl-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(2-bromophenyl)sulfonylpiperazino]sulfonyl-3-thenoic acid Formula: C15H15BrN2O6S3 MolecularWeight: 495.3884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2Br)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2Br)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C15H15BrN2O6S3/c16-12-3-1-2-4-13(12)26(21,22)17-5-7-18(8-6-17)27(23,24)14-9-11(10-25-14)15(19)20/h1-4,9-10H,5-8H2,(H,19,20)