tert-butyl (2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(4-tosylpiperazine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5S/c1-16-7-9-17(10-8-16)30(27,28)23-14-12-22(13-15-23)19(25)18-6-5-11-24(18)20(26)29-21(2,3)4/h7-10,18H,5-6,11-15H2,1-4H3/t18-/m0/s1