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

Systemtic Name: 2-methyl-2-[2-methyl-4-(4-phenethylpiperazin-1-yl)sulfonyl-phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-(4-phenethylpiperazin-1-yl)sulfonyl-phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[(4-phenethyl-1-piperazinyl)sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-(4-phenethylpiperazin-1-yl)sulfonylphenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-(4-phenethylpiperazino)sulfonyl-phenoxy]propionic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C23H30N2O5S/c1-18-17-20(9-10-21(18)30-23(2,3)22(26)27)31(28,29)25-15-13-24(14-16-25)12-11-19-7-5-4-6-8-19/h4-10,17H,11-16H2,1-3H3,(H,26,27)