4-chloranyl-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-22(2,3)16-21(27)26-14-12-25(13-15-26)19-8-6-18(7-9-19)24-30(28,29)20-10-4-17(23)5-11-20/h4-11,24H,12-16H2,1-3H3