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

Systemtic Name: methyl 2-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-15-4-5-17(22)13-19(15)23-8-10-24(11-9-23)30(26,27)18-6-7-20(16(2)12-18)29-14-21(25)28-3/h4-7,12-13H,8-11,14H2,1-3H3