tert-butyl 5-(3,3-dimethylbutylcarbamoyl)-2-(2-fluorophenyl)-3-morpholin-4-ylsulfonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 5-(3,3-dimethylbutylcarbamoyl)-2-(2-fluorophenyl)-3-morpholin-4-ylsulfonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 5-(3,3-dimethylbutylcarbamoyl)-2-(2-fluorophenyl)-3-morpholinosulfonyl-pyrrolidine-1-carboxylate CAS Name: 5-[(3,3-dimethylbutylamino)-oxomethyl]-2-(2-fluorophenyl)-3-(4-morpholinylsulfonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3,3-dimethylbutylcarbamoyl)-2-(2-fluorophenyl)-3-morpholin-4-ylsulfonylpyrrolidine-1-carboxylate Traditional Name: 5-(3,3-dimethylbutylcarbamoyl)-2-(2-fluorophenyl)-3-morpholinosulfonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H40FN3O6S MolecularWeight: 541.675703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1CC(C(N1C(=O)OC(C)(C)C)C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1CC(C(N1C(=O)OC(C)(C)C)C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C26H40FN3O6S/c1-25(2,3)11-12-28-23(31)20-17-21(37(33,34)29-13-15-35-16-14-29)22(18-9-7-8-10-19(18)27)30(20)24(32)36-26(4,5)6/h7-10,20-22H,11-17H2,1-6H3,(H,28,31)