3-ethanoyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C26H30N4O3S MolecularWeight: 478.6064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-21(31)23-9-5-11-25(17-23)34(32,33)28-19-26(24-10-6-12-27-18-24)30-15-13-29(14-16-30)20-22-7-3-2-4-8-22/h2-12,17-18,26,28H,13-16,19-20H2,1H3