4-bromanyl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-(4-p-anisylpiperazino)sulfonyl-benzoic acid Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c1-27-16-5-2-14(3-6-16)13-21-8-10-22(11-9-21)28(25,26)18-12-15(19(23)24)4-7-17(18)20/h2-7,12H,8-11,13H2,1H3,(H,23,24)