2-[[7-(phenylsulfonylamino)-3,4-dihydro-2H-chromen-2-yl]methyl]benzenesulfonate

Systemtic Name: 2-[[7-(phenylsulfonylamino)-3,4-dihydro-2H-chromen-2-yl]methyl]benzenesulfonate Openeye Name: 2-[[7-(benzenesulfonamido)chroman-2-yl]methyl]benzenesulfonate CAS Name: 2-[[7-(benzenesulfonamido)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]benzenesulfonate IUPAC Name: 2-[[7-(benzenesulfonamido)-3,4-dihydro-2H-chromen-2-yl]methyl]benzenesulfonate Traditional Name: 2-[[7-(benzenesulfonamido)chroman-2-yl]methyl]besylate Formula: C22H20NO6S2- MolecularWeight: 458.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)OC1CC4=CC=CC=C4S(=O)(=O)[O-]

Isomeric SMILES

C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)OC1CC4=CC=CC=C4S(=O)(=O)[O-]

InChI

InChI=1S/C22H21NO6S2/c24-30(25,20-7-2-1-3-8-20)23-18-12-10-16-11-13-19(29-21(16)15-18)14-17-6-4-5-9-22(17)31(26,27)28/h1-10,12,15,19,23H,11,13-14H2,(H,26,27,28)/p-1