tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-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)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

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