1-[4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)piperazino]ethanone Formula: C17H22BrN3O4S MolecularWeight: 444.34328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O4S/c1-13(22)19-8-10-20(11-9-19)17(23)15-12-14(4-5-16(15)18)26(24,25)21-6-2-3-7-21/h4-5,12H,2-3,6-11H2,1H3