(2-methylsulfanylphenyl)-[1-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonyl]piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonyl]piperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-(1-oxidobenzofurazan-1-ium-5-carbonyl)-3-piperidyl]methanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-28-18-7-3-2-6-15(18)19(24)14-5-4-10-22(12-14)20(25)13-8-9-17-16(11-13)21-27-23(17)26/h2-3,6-9,11,14H,4-5,10,12H2,1H3