3-(1H-indol-3-yl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-(2-phenoxathiinylsulfonylamino)propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-(phenoxathiin-2-ylsulfonylamino)propionic acid Formula: C23H18N2O5S2 MolecularWeight: 466.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N2O5S2/c26-23(27)18(11-14-13-24-17-6-2-1-5-16(14)17)25-32(28,29)15-9-10-20-22(12-15)31-21-8-4-3-7-19(21)30-20/h1-10,12-13,18,24-25H,11H2,(H,26,27)