5-(4-acetamido-3-methoxy-phenyl)sulfonylimino-2-methyl-3-oxidanylidene-isoindol-1-olate

Systemtic Name: 5-(4-acetamido-3-methoxy-phenyl)sulfonylimino-2-methyl-3-oxidanylidene-isoindol-1-olate Openeye Name: 5-(4-acetamido-3-methoxy-phenyl)sulfonylimino-2-methyl-3-oxo-isoindol-1-olate CAS Name: 5-(4-acetamido-3-methoxyphenyl)sulfonylimino-2-methyl-3-oxo-1-isoindololate IUPAC Name: 5-(4-acetamido-3-methoxyphenyl)sulfonylimino-2-methyl-3-oxoisoindol-1-olate Traditional Name: 5-(4-acetamido-3-methoxy-phenyl)sulfonylimino-3-keto-2-methyl-isoindol-1-olate Formula: C18H16N3O6S- MolecularWeight: 402.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N=C2C=CC3=C(N(C(=O)C3=C2)C)[O-])OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N=C2C=CC3=C(N(C(=O)C3=C2)C)[O-])OC

InChI

InChI=1S/C18H17N3O6S/c1-10(22)19-15-7-5-12(9-16(15)27-3)28(25,26)20-11-4-6-13-14(8-11)18(24)21(2)17(13)23/h4-9,23H,1-3H3,(H,19,22)/p-1