N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-morpholinosulfonylphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N6O4S+ MolecularWeight: 447.53118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O4S/c27-19(16-24-7-9-25(10-8-24)20-21-5-2-6-22-20)23-17-3-1-4-18(15-17)31(28,29)26-11-13-30-14-12-26/h1-6,15H,7-14,16H2,(H,23,27)/p+1