2-methyl-2-[2-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[(4-phenyl-1-piperazinyl)sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-(4-phenylpiperazin-1-yl)sulfonylphenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-(4-phenylpiperazino)sulfonyl-phenoxy]propionic acid 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)C3=CC=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-16-15-18(9-10-19(16)28-21(2,3)20(24)25)29(26,27)23-13-11-22(12-14-23)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H,24,25)