2-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethyl-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethyl-N-(phenylsulfonyl)piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-(benzenesulfonyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethyl-piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-ethyl-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-(benzenesulfonyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-ethylpiperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-besyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethyl-piperazin-1-ium-1-carboxamide Formula: C22H26ClN8O4S+ MolecularWeight: 534.01104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC[N+]1(CCN(CC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN8O4S/c1-2-31(22(33)28-36(34,35)17-6-4-3-5-7-17)11-10-29(14-16(31)12-19(24)32)20-13-18(23)26-21(27-20)30-9-8-25-15-30/h3-9,13,15-16H,2,10-12,14H2,1H3,(H2-,24,28,32,33)/p+1