4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(2-fluorobenzyl)-mesyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1F)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1F)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

InChI

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