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

Systemtic Name: 2-[4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)piperazino]-1-piperidino-ethanone Formula: C22H31ClN4O4S MolecularWeight: 483.02394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H31ClN4O4S/c23-20-7-6-18(32(30,31)27-10-4-5-11-27)16-19(20)22(29)26-14-12-24(13-15-26)17-21(28)25-8-2-1-3-9-25/h6-7,16H,1-5,8-15,17H2