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

Systemtic Name: 1-cyclohexyl-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-cyclohexyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-cyclohexyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-cyclohexyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-cyclohexyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O4S.C2H2O4/c20-19(21)15-8-4-5-9-16(15)24(22,23)18-12-10-17(11-13-18)14-6-2-1-3-7-14;3-1(4)2(5)6/h4-5,8-9,14H,1-3,6-7,10-13H2;(H,3,4)(H,5,6)