8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)octanoic acid

Systemtic Name: 8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)octanoic acid Openeye Name: 8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)octanoic acid CAS Name: 8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)octanoic acid IUPAC Name: 8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)octanoic acid Traditional Name: 8-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)caprylic acid Formula: C28H32N2O5S MolecularWeight: 508.62908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CCCCCCC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CCCCCCC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H32N2O5S/c31-28(32)25(13-4-2-1-3-9-19-18-29-24-12-7-5-10-21(19)24)30-36(33,34)20-15-16-23-22-11-6-8-14-26(22)35-27(23)17-20/h5,7,10,12,15-18,25,29-30H,1-4,6,8-9,11,13-14H2,(H,31,32)