3,4,5-triethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 3,4,5-triethoxy-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C24H35N5O6S MolecularWeight: 521.6296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C24H35N5O6S/c1-4-33-20-17-19(18-21(34-5-2)22(20)35-6-3)23(30)25-11-8-16-36(31,32)29-14-12-28(13-15-29)24-26-9-7-10-27-24/h7,9-10,17-18H,4-6,8,11-16H2,1-3H3,(H,25,30)