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

Systemtic Name: 1-ethyl-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]benzimidazole-5-sulfonamide Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N7O3S/c1-2-27-17-5-4-15(31(21,29)30)14-16(17)24-18(27)6-7-19(28)25-10-12-26(13-11-25)20-22-8-3-9-23-20/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H2,21,29,30)