4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)F

InChI

InChI=1S/C21H26FN3O4S/c1-16-15-19(7-8-20(16)22)30(27,28)24-18-5-3-17(4-6-18)21(26)23-9-2-10-25-11-13-29-14-12-25/h3-8,15,24H,2,9-14H2,1H3,(H,23,26)/p+1