1-(cyclohex-3-en-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O4S.C2H2O4/c21-20(22)16-8-4-5-9-17(16)25(23,24)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15;3-1(4)2(5)6/h1-2,4-5,8-9,15H,3,6-7,10-14H2;(H,3,4)(H,5,6)