tert-butyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-17-8-9-18(31(28,29)25-10-6-5-7-11-25)16-19(17)20(26)23-12-14-24(15-13-23)21(27)30-22(2,3)4/h8-9,16H,5-7,10-15H2,1-4H3