N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-piperonyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H23N5O5S MolecularWeight: 481.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O5S/c29-22(27-9-11-28(12-10-27)23-24-7-2-8-25-23)18-3-1-4-19(14-18)34(30,31)26-15-17-5-6-20-21(13-17)33-16-32-20/h1-8,13-14,26H,9-12,15-16H2