4-bromanyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-methylsulfonyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-mesylpiperazino)methyl]phenol; oxalic acid Formula: C14H19BrN2O7S MolecularWeight: 439.27886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrN2O3S.C2H2O4/c1-19(17,18)15-6-4-14(5-7-15)9-10-8-11(13)2-3-12(10)16;3-1(4)2(5)6/h2-3,8,16H,4-7,9H2,1H3;(H,3,4)(H,5,6)