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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide Formula: C18H27ClN3O4S+ MolecularWeight: 416.94268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H26ClN3O4S/c19-16-6-5-15(27(24,25)22-9-11-26-12-10-22)13-17(16)20-18(23)14-21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2,(H,20,23)/p+1