methyl 2-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylphenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylphenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonylphenoxy]acetate CAS Name: 2-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenoxy]acetate Traditional Name: 2-[4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonylphenoxy]acetic acid methyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)OC

InChI

InChI=1S/C20H23ClN2O5S/c1-15-3-4-16(21)13-19(15)22-9-11-23(12-10-22)29(25,26)18-7-5-17(6-8-18)28-14-20(24)27-2/h3-8,13H,9-12,14H2,1-2H3