N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN5O4S+ MolecularWeight: 480.98818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O4S/c22-18-5-4-17(32(29,30)27-11-13-31-14-12-27)15-19(18)24-21(28)16-25-7-9-26(10-8-25)20-3-1-2-6-23-20/h1-6,15H,7-14,16H2,(H,24,28)/p+1