1-butan-2-yl-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-butan-2-yl-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-sec-butyl-piperazine; oxalic acid CAS Name: 1-butan-2-yl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-butan-2-yl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-sec-butyl-piperazine; oxalic acid Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O4S.C2H2O4/c1-3-12(2)15-8-10-16(11-9-15)22(20,21)14-7-5-4-6-13(14)17(18)19;3-1(4)2(5)6/h4-7,12H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)