2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]acetic acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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