N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4F)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4F)OC1=O

InChI

InChI=1S/C21H25FN4O4S/c1-24-19-8-7-16(15-20(19)30-21(24)27)31(28,29)23-9-4-10-25-11-13-26(14-12-25)18-6-3-2-5-17(18)22/h2-3,5-8,15,23H,4,9-14H2,1H3/p+1