but-2-ynoxybenzene; N-(4-fluorophenyl)methanamide; 4-oxidanyl-1-sulfonyl-piperazin-1-ium-2-carboxamide

Systemtic Name: but-2-ynoxybenzene; N-(4-fluorophenyl)methanamide; 4-oxidanyl-1-sulfonyl-piperazin-1-ium-2-carboxamide Openeye Name: but-2-ynoxybenzene; N-(4-fluorophenyl)formamide; 4-hydroxy-1-sulfonyl-piperazin-1-ium-2-carboxamide CAS Name: but-2-ynoxybenzene; N-(4-fluorophenyl)formamide; 4-hydroxy-1-sulfonyl-2-piperazin-1-iumcarboxamide IUPAC Name: but-2-ynoxybenzene; N-(4-fluorophenyl)formamide; 4-hydroxy-1-sulfonylpiperazin-1-ium-2-carboxamide Traditional Name: but-2-ynoxybenzene; N-(4-fluorophenyl)formamide; 4-hydroxy-1-sulfonyl-piperazin-1-ium-2-carboxamide Formula: C22H26FN4O6S+ MolecularWeight: 493.528443

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.C1C[N+](=S(=O)=O)C(CN1O)C(=O)N.C1=CC(=CC=C1NC=O)F

Isomeric SMILES

CC#CCOC1=CC=CC=C1.C1C[N+](=S(=O)=O)C(CN1O)C(=O)N.C1=CC(=CC=C1NC=O)F

InChI

InChI=1S/C10H10O.C7H6FNO.C5H9N3O4S/c1-2-3-9-11-10-7-5-4-6-8-10;8-6-1-3-7(4-2-6)9-5-10;6-5(9)4-3-7(10)1-2-8(4)13(11)12/h4-8H,9H2,1H3;1-5H,(H,9,10);4,10H,1-3H2,(H-,6,9)/p+1