2-(3-morpholin-4-ylsulfonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-morpholin-4-ylsulfonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-morpholinosulfonylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[3-(4-morpholinylsulfonyl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-morpholin-4-ylsulfonylphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-(3-morpholinosulfonylphenyl)isoindoline-5-carboxylic acid Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C19H16N2O7S/c22-17-15-5-4-12(19(24)25)10-16(15)18(23)21(17)13-2-1-3-14(11-13)29(26,27)20-6-8-28-9-7-20/h1-5,10-11H,6-9H2,(H,24,25)