tert-butyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-pyrrolidinosulfonylbenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O5S/c1-20(2,3)28-19(25)22-14-12-21(13-15-22)18(24)16-6-8-17(9-7-16)29(26,27)23-10-4-5-11-23/h6-9H,4-5,10-15H2,1-3H3