ethyl 4-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O7S MolecularWeight: 468.52392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H28N4O7S/c1-3-31-20(26)22-12-10-21(11-13-22)19(25)16-6-8-23(9-7-16)32(29,30)18-14-17(24(27)28)5-4-15(18)2/h4-5,14,16H,3,6-13H2,1-2H3