5-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N,N-diethyl-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N,N-diethyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-N,N-diethyl-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-4-26(5-2)30(28,29)21-15-18(10-9-17(21)3)22(27)25-13-11-24(12-14-25)20-8-6-7-19(23)16-20/h6-10,15-16H,4-5,11-14H2,1-3H3