2-[(4-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[4-fluoro-N-(p-tolylsulfonyl)anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(4-fluoro-N-tosyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4S/c1-17-2-8-20(9-3-17)30(27,28)25(19-6-4-18(22)5-7-19)16-21(26)23-10-11-24-12-14-29-15-13-24/h2-9H,10-16H2,1H3,(H,23,26)/p+1