ethanedioic acid; 1-(4-methylcyclohexyl)-4-(4-nitrophenyl)sulfonyl-piperazine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O4S.C2H2O4/c1-14-2-4-15(5-3-14)18-10-12-19(13-11-18)25(23,24)17-8-6-16(7-9-17)20(21)22;3-1(4)2(5)6/h6-9,14-15H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)