ethyl 4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-chloro-5-methylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(2-chloro-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-methylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-5-mesyl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H19ClN2O5S/c1-3-23-15(20)18-8-6-17(7-9-18)14(19)12-10-11(24(2,21)22)4-5-13(12)16/h4-5,10H,3,6-9H2,1-2H3