4-bromanyl-5-[4-(phenylsulfonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-(phenylsulfonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-4-bromo-benzofuran-2-carboxylic acid CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-4-bromo-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-4-bromo-1-benzofuran-2-carboxylic acid Traditional Name: 5-(4-besylpiperazino)-4-bromo-coumarilic acid Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H17BrN2O5S/c20-18-14-12-17(19(23)24)27-16(14)7-6-15(18)21-8-10-22(11-9-21)28(25,26)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)