sodium 2-[4-[2-[1-(phenylsulfonylamino)propylsulfanyl]ethyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[2-[1-(phenylsulfonylamino)propylsulfanyl]ethyl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[2-[1-(benzenesulfonamido)propylsulfanyl]ethyl]phenoxy]acetate CAS Name: sodium 2-[4-[2-[1-(benzenesulfonamido)propylthio]ethyl]phenoxy]acetate IUPAC Name: sodium 2-[4-[2-[1-(benzenesulfonamido)propylsulfanyl]ethyl]phenoxy]acetate Traditional Name: sodium 2-[4-[2-[1-(benzenesulfonamido)propylthio]ethyl]phenoxy]acetate Formula: C19H22NNaO5S2 MolecularWeight: 431.50145

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NS(=O)(=O)C1=CC=CC=C1)SCCC2=CC=C(C=C2)OCC(=O)[O-].[Na+]

Isomeric SMILES

CCC(NS(=O)(=O)C1=CC=CC=C1)SCCC2=CC=C(C=C2)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H23NO5S2.Na/c1-2-18(20-27(23,24)17-6-4-3-5-7-17)26-13-12-15-8-10-16(11-9-15)25-14-19(21)22;/h3-11,18,20H,2,12-14H2,1H3,(H,21,22);/q;+1/p-1