tert-butyl 4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-3-(1-piperidylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-3-piperidinosulfonyl-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN3O5S MolecularWeight: 471.998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30ClN3O5S/c1-21(2,3)30-20(27)24-13-11-23(12-14-24)19(26)16-7-8-17(22)18(15-16)31(28,29)25-9-5-4-6-10-25/h7-8,15H,4-6,9-14H2,1-3H3