tert-butyl 4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-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(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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