1-[4-[4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-chloro-5-methylsulfonyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-chloro-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-chloro-5-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-chloro-5-mesyl-benzoyl)piperazino]phenyl]ethanone Formula: C20H21ClN2O4S MolecularWeight: 420.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-14(24)15-3-5-16(6-4-15)22-9-11-23(12-10-22)20(25)18-13-17(28(2,26)27)7-8-19(18)21/h3-8,13H,9-12H2,1-2H3