4-methoxy-N-[2-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]ethyl]aniline hydrochloride

Systemtic Name: 4-methoxy-N-[2-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]ethyl]aniline hydrochloride Openeye Name: 4-methoxy-N-[2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]ethyl]aniline hydrochloride CAS Name: 4-methoxy-N-[2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]ethyl]aniline hydrochloride IUPAC Name: 4-methoxy-N-[2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]ethyl]aniline hydrochloride Traditional Name: (4-methoxyphenyl)-[2-(5-oxido-4-phenyl-furazan-5-ium-3-yl)sulfonylethyl]amine hydrochloride Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCCS(=O)(=O)C2=NO[N+](=C2C3=CC=CC=C3)[O-].Cl

Isomeric SMILES

COC1=CC=C(C=C1)NCCS(=O)(=O)C2=NO[N+](=C2C3=CC=CC=C3)[O-].Cl

InChI

InChI=1S/C17H17N3O5S.ClH/c1-24-15-9-7-14(8-10-15)18-11-12-26(22,23)17-16(20(21)25-19-17)13-5-3-2-4-6-13;/h2-10,18H,11-12H2,1H3;1H