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

Systemtic Name: 3-[(2-methyl-3-nonoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-methyl-3-nonoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-3-[nonoxy(oxo)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-nonoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-methyl-3-nonoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C30H33NO7S MolecularWeight: 551.65052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO7S/c1-3-4-5-6-7-8-11-17-37-30(34)27-20(2)38-28-24-16-10-9-15-23(24)26(19-25(27)28)31-39(35,36)22-14-12-13-21(18-22)29(32)33/h9-10,12-16,18-19,31H,3-8,11,17H2,1-2H3,(H,32,33)