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

Systemtic Name: 2-methyl-2-[2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-[4-(4-nitrophenyl)piperazino]sulfonyl-phenoxy]propionic acid Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)(C)C(=O)O

InChI

InChI=1S/C21H25N3O7S/c1-15-14-18(8-9-19(15)31-21(2,3)20(25)26)32(29,30)23-12-10-22(11-13-23)16-4-6-17(7-5-16)24(27)28/h4-9,14H,10-13H2,1-3H3,(H,25,26)