2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-morpholin-4-iumyl)propyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholinosulfonyl-benzamide Formula: C18H27ClN3O5S+ MolecularWeight: 432.94208

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H26ClN3O5S/c19-17-3-2-15(28(24,25)22-8-12-27-13-9-22)14-16(17)18(23)20-4-1-5-21-6-10-26-11-7-21/h2-3,14H,1,4-13H2,(H,20,23)/p+1