2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]ethanoate

Systemtic Name: 2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]ethanoate Openeye Name: 2-[(6-butoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]acetate CAS Name: 2-[(6-butoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)methylsulfonylamino]acetate IUPAC Name: 2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]acetate Traditional Name: 2-[(6-butoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]acetate Formula: C18H26NO6S- MolecularWeight: 384.46714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(CC2CS(=O)(=O)NCC(=O)[O-])(C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(CC2CS(=O)(=O)NCC(=O)[O-])(C)C

InChI

InChI=1S/C18H27NO6S/c1-4-5-8-24-14-6-7-16-15(9-14)13(10-18(2,3)25-16)12-26(22,23)19-11-17(20)21/h6-7,9,13,19H,4-5,8,10-12H2,1-3H3,(H,20,21)/p-1