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

Systemtic Name: methyl 2-[2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[2-methyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-(4-benzylpiperazino)sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OCC(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-17-14-19(8-9-20(17)28-16-21(24)27-2)29(25,26)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3