ethyl 4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H24BrN3O5S MolecularWeight: 474.36926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O5S/c1-2-27-18(24)21-11-9-20(10-12-21)17(23)15-13-14(5-6-16(15)19)28(25,26)22-7-3-4-8-22/h5-6,13H,2-4,7-12H2,1H3