2-[2-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]oxyphenoxy]ethanoic acid

Systemtic Name: 2-[2-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]oxyphenoxy]ethanoic acid Openeye Name: 2-[2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]phenoxy]acetic acid CAS Name: 2-[2-[1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]oxyphenoxy]acetic acid IUPAC Name: 2-[2-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenoxy]acetic acid Traditional Name: 2-[2-[2-(4-besylpiperazino)-2-keto-1-methyl-ethoxy]phenoxy]acetic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3OCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-16(30-19-10-6-5-9-18(19)29-15-20(24)25)21(26)22-11-13-23(14-12-22)31(27,28)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,24,25)