2-bromanyl-5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-(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=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

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

InChI

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