tert-butyl 4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN3O5S MolecularWeight: 486.02458

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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)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H32ClN3O5S/c1-22(2,3)31-21(28)25-14-12-24(13-15-25)20(27)17-8-9-18(23)19(16-17)32(29,30)26-10-6-4-5-7-11-26/h8-9,16H,4-7,10-15H2,1-3H3