3,5-dimethyl-N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[3-oxo-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-keto-3-[4-(2-thenyl)piperazin-4-ium-1-yl]propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C17H25N4O4S2+ MolecularWeight: 413.5348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H24N4O4S2/c1-13-17(14(2)25-19-13)27(23,24)18-6-5-16(22)21-9-7-20(8-10-21)12-15-4-3-11-26-15/h3-4,11,18H,5-10,12H2,1-2H3/p+1