N-(4-fluorophenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(4-fluorophenyl)-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide CAS Name: N-(4-fluorophenyl)-2-oxo-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(4-fluorophenyl)-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(4-fluorophenyl)-2-keto-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Formula: C19H21FN3O4S+ MolecularWeight: 406.451143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F)OC2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F)OC2=O

InChI

InChI=1S/C19H20FN3O4S/c20-14-4-6-15(7-5-14)21-28(25,26)16-8-9-17-18(12-16)27-19(24)23(17)13-22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2/p+1