2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(1H-indol-3-yl)propionic acid Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC4C(C=C3)SC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC4C(C=C3)SC5=CC=CC=C5O4

InChI

InChI=1S/C23H20N2O5S2/c26-23(27)18(11-14-13-24-17-6-2-1-5-16(14)17)25-32(28,29)15-9-10-22-20(12-15)30-19-7-3-4-8-21(19)31-22/h1-10,12-13,18,20,22,24-25H,11H2,(H,26,27)