2-[4-chloranyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-4-chloro-phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-4-chlorophenoxy]acetic acid Traditional Name: 2-[2-(4-benzylsulfonylpiperazino)-4-chloro-phenoxy]acetic acid Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O5S/c20-16-6-7-18(27-13-19(23)24)17(12-16)21-8-10-22(11-9-21)28(25,26)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,23,24)