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

Systemtic Name: 4-bromanyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-propylsulfonyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-propylsulfonylpiperazino)methyl]phenol; oxalic acid Formula: C16H23BrN2O7S MolecularWeight: 467.33202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O3S.C2H2O4/c1-2-9-21(19,20)17-7-5-16(6-8-17)11-12-10-13(15)3-4-14(12)18;3-1(4)2(5)6/h3-4,10,18H,2,5-9,11H2,1H3;(H,3,4)(H,5,6)