N,N-diethyl-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S/c1-3-25(4-2)29(27,28)20-10-7-8-18(16-20)21(26)24-14-12-23(13-15-24)17-19-9-5-6-11-22-19/h5-11,16H,3-4,12-15,17H2,1-2H3