tert-butyl 4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)piperazine-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)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O5S/c1-20(2,3)29-19(26)23-12-10-22(11-13-23)18(25)16-14-15(6-7-17(16)21)30(27,28)24-8-4-5-9-24/h6-7,14H,4-5,8-13H2,1-3H3