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

Systemtic Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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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)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-22(2,3)30-21(27)24-15-13-23(14-16-24)20(26)18-9-8-10-19(17-18)31(28,29)25-11-6-4-5-7-12-25/h8-10,17H,4-7,11-16H2,1-3H3