2-[3-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]propoxy]ethanoic acid

Systemtic Name: 2-[3-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]propoxy]ethanoic acid Openeye Name: 2-[3-[(6-butoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]propoxy]acetic acid CAS Name: 2-[3-[(6-butoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)methylsulfonylamino]propoxy]acetic acid IUPAC Name: 2-[3-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)methylsulfonylamino]propoxy]acetic acid Traditional Name: 2-[3-[(6-butoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]propoxy]acetic acid Formula: C21H33NO7S MolecularWeight: 443.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(CC2CS(=O)(=O)NCCCOCC(=O)O)(C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(CC2CS(=O)(=O)NCCCOCC(=O)O)(C)C

InChI

InChI=1S/C21H33NO7S/c1-4-5-11-28-17-7-8-19-18(12-17)16(13-21(2,3)29-19)15-30(25,26)22-9-6-10-27-14-20(23)24/h7-8,12,16,22H,4-6,9-11,13-15H2,1-3H3,(H,23,24)