tert-butyl 4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-1-tosylprolyl]piperazine-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)N2CCCC2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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