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

Systemtic Name: 1-cycloheptyl-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-cycloheptyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-cycloheptyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-cycloheptyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-cycloheptyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H27N3O8S MolecularWeight: 457.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O4S.C2H2O4/c21-20(22)16-9-5-6-10-17(16)25(23,24)19-13-11-18(12-14-19)15-7-3-1-2-4-8-15;3-1(4)2(5)6/h5-6,9-10,15H,1-4,7-8,11-14H2;(H,3,4)(H,5,6)