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

Systemtic Name: ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-propan-2-yl-piperazine Openeye Name: 1-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(2-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C15H21N3O8S MolecularWeight: 403.40754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S.C2H2O4/c1-11(2)14-7-9-15(10-8-14)21(19,20)13-6-4-3-5-12(13)16(17)18;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3;(H,3,4)(H,5,6)