2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-3-ylsulfonylamino)propanoic acid

Systemtic Name: 2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-3-ylsulfonylamino)propanoic acid Openeye Name: 2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]benzofuran-3-ylsulfonylamino)propanoic acid CAS Name: 2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]benzofuran-3-ylsulfonylamino)propanoic acid IUPAC Name: 2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-3-ylsulfonylamino)propanoic acid Traditional Name: 2-methyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]benzofuran-3-ylsulfonylamino)propionic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)CCCCC3

Isomeric SMILES

CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)CCCCC3

InChI

InChI=1S/C17H21NO5S/c1-17(2,16(19)20)18-24(21,22)11-8-9-13-12-6-4-3-5-7-14(12)23-15(13)10-11/h8-10,18H,3-7H2,1-2H3,(H,19,20)