methyl 3-[(2-cyclopentylethanoylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(2-cyclopentylethanoylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: methyl 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 3-[[(2-cyclopentyl-1-oxoethyl)amino]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)CC4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)CC4CCCC4

InChI

InChI=1S/C24H28N2O7S/c1-31-24(28)18-10-17(15-25-23(27)12-16-4-2-3-5-16)11-19(13-18)26-34(29,30)20-6-7-21-22(14-20)33-9-8-32-21/h6-7,10-11,13-14,16,26H,2-5,8-9,12,15H2,1H3,(H,25,27)