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

Systemtic Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O5S/c1-20(2,3)29-19(26)24-9-5-8-17(24)18(25)22-10-12-23(13-11-22)30(27,28)16-7-4-6-15(21)14-16/h4,6-7,14,17H,5,8-13H2,1-3H3