N,N,1-trimethyl-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-trimethyl-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-trimethyl-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-trimethyl-2-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-trimethyl-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide Traditional Name: 2-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide Formula: C21H27N7O3S MolecularWeight: 457.54918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N7O3S/c1-25(2)32(30,31)16-5-6-18-17(15-16)24-19(26(18)3)7-8-20(29)27-11-13-28(14-12-27)21-22-9-4-10-23-21/h4-6,9-10,15H,7-8,11-14H2,1-3H3