5-[(2-methyl-3-octoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(2-methyl-3-octoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[octoxy(oxo)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[(2-methyl-3-octoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C29H31NO8S MolecularWeight: 553.62334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C29H31NO8S/c1-3-4-5-6-7-10-15-37-29(34)26-18(2)38-27-21-12-9-8-11-20(21)24(17-23(26)27)30-39(35,36)19-13-14-25(31)22(16-19)28(32)33/h8-9,11-14,16-17,30-31H,3-7,10,15H2,1-2H3,(H,32,33)