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

Systemtic Name: tert-butyl 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(4-benzylsulfonylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzylsulfonylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-benzylsulfonylpiperazine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O5S/c1-21(2,3)29-20(26)24-11-7-10-18(24)19(25)22-12-14-23(15-13-22)30(27,28)16-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3