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

Systemtic Name: 3-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propionic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C23H22N2O5S/c26-23(27)20(11-14-13-24-19-7-3-1-5-16(14)19)25-31(28,29)15-9-10-18-17-6-2-4-8-21(17)30-22(18)12-15/h1,3,5,7,9-10,12-13,20,24-25H,2,4,6,8,11H2,(H,26,27)