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

Systemtic Name: 4-bromanyl-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazino]methyl]phenol; oxalic acid Formula: C19H20BrClN2O7S MolecularWeight: 535.7933

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18BrClN2O3S.C2H2O4/c18-14-1-6-17(22)13(11-14)12-20-7-9-21(10-8-20)25(23,24)16-4-2-15(19)3-5-16;3-1(4)2(5)6/h1-6,11,22H,7-10,12H2;(H,3,4)(H,5,6)