3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-ethyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-ethyl-4-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-ethyl-4-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-ethyl-4-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-ethyl-4-methylbenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N-ethyl-4-methyl-benzenesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O3S/c1-3-24-30(28,29)20-9-4-17(2)21(14-20)22(27)26-12-10-25(11-13-26)16-19-7-5-18(15-23)6-8-19/h4-9,14,24H,3,10-13,16H2,1-2H3