3-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(4-p-anisylpiperazino)sulfonylphenyl]propionic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-28-19-7-2-18(3-8-19)16-22-12-14-23(15-13-22)29(26,27)20-9-4-17(5-10-20)6-11-21(24)25/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)