4-bromanyl-5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(3-methoxyphenyl)sulfonylpiperazino]coumarilic acid Formula: C20H19BrN2O6S MolecularWeight: 495.34366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

InChI

InChI=1S/C20H19BrN2O6S/c1-28-13-3-2-4-14(11-13)30(26,27)23-9-7-22(8-10-23)16-5-6-17-15(19(16)21)12-18(29-17)20(24)25/h2-6,11-12H,7-10H2,1H3,(H,24,25)