4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-(2-chloro-5-piperidinosulfonyl-benzoyl)-N,N-diethyl-piperazine-1-carboxamide Formula: C21H31ClN4O4S MolecularWeight: 471.01324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H31ClN4O4S/c1-3-23(4-2)21(28)25-14-12-24(13-15-25)20(27)18-16-17(8-9-19(18)22)31(29,30)26-10-6-5-7-11-26/h8-9,16H,3-7,10-15H2,1-2H3