2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methylindol-3-yl)propanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methylindol-3-yl)propanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methylindol-3-yl)propanoic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methylindol-3-yl)propanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1-methylindol-3-yl)propionic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O6S/c1-22-12-13(15-4-2-3-5-17(15)22)10-16(20(23)24)21-29(25,26)14-6-7-18-19(11-14)28-9-8-27-18/h2-7,11-12,16,21H,8-10H2,1H3,(H,23,24)