2-bromanyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 2-bromanyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-bromo-5-[4-(2-thienylsulfonyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 2-bromo-5-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)sulfonyl]benzoate IUPAC Name: 2-bromo-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-bromo-5-[4-(2-thienylsulfonyl)piperazino]sulfonyl-benzoate Formula: C15H14BrN2O6S3- MolecularWeight: 494.38046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

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