methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[4-(4-methoxyphenyl)piperazino]sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-16-14-19(8-9-20(16)29-15-21(24)28-3)30(25,26)23-12-10-22(11-13-23)17-4-6-18(27-2)7-5-17/h4-9,14H,10-13,15H2,1-3H3