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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide Formula: C19H29ClN3O4S+ MolecularWeight: 430.96926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H28ClN3O4S/c20-17-7-6-16(28(25,26)23-10-12-27-13-11-23)14-18(17)21-19(24)15-22-8-4-2-1-3-5-9-22/h6-7,14H,1-5,8-13,15H2,(H,21,24)/p+1