2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-(5-bromo-2-methylphenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazino]acetic acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H17BrN2O4S/c1-10-2-3-11(14)8-12(10)21(19,20)16-6-4-15(5-7-16)9-13(17)18/h2-3,8H,4-7,9H2,1H3,(H,17,18)