tert-butyl 4-[3-aminocarbonyl-5-ethyl-4-[[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylamino]pyrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-aminocarbonyl-5-ethyl-4-[[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylamino]pyrazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-carbamoyl-5-ethyl-4-[(2-isobutoxy-5-methylsulfonyl-benzoyl)amino]pyrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-carbamoyl-5-ethyl-4-[[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]amino]-1-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-carbamoyl-5-ethyl-4-[[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]amino]pyrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-carbamoyl-5-ethyl-4-[(2-isobutoxy-5-mesyl-benzoyl)amino]pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H41N5O7S MolecularWeight: 591.71944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C

Isomeric SMILES

CCC1=C(C(=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C

InChI

InChI=1S/C28H41N5O7S/c1-8-21-23(30-26(35)20-15-19(41(7,37)38)9-10-22(20)39-16-17(2)3)24(25(29)34)31-33(21)18-11-13-32(14-12-18)27(36)40-28(4,5)6/h9-10,15,17-18H,8,11-14,16H2,1-7H3,(H2,29,34)(H,30,35)