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

Systemtic Name: tert-butyl 4-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H32N4O7S MolecularWeight: 496.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O7S/c1-16-5-6-18(26(29)30)15-19(16)34(31,32)25-9-7-17(8-10-25)20(27)23-11-13-24(14-12-23)21(28)33-22(2,3)4/h5-6,15,17H,7-14H2,1-4H3