tert-butyl 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C

InChI

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