1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H20BrN3O8S MolecularWeight: 530.3464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18BrN3O4S.C2H2O4/c18-15-6-2-1-5-14(15)13-19-9-11-20(12-10-19)26(24,25)17-8-4-3-7-16(17)21(22)23;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)