2-[[(E)-[4-methyl-2-(oxan-2-yloxymethyl)-2H-pyran-6-yl]iminocarbamoyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[(E)-[4-methyl-2-(oxan-2-yloxymethyl)-2H-pyran-6-yl]iminocarbamoyl]sulfamoyl]benzoic acid Openeye Name: 2-[[(E)-[4-methyl-2-(tetrahydropyran-2-yloxymethyl)-2H-pyran-6-yl]iminocarbamoyl]sulfamoyl]benzoic acid CAS Name: 2-[[[(E)-[4-methyl-2-(2-oxanyloxymethyl)-2H-pyran-6-yl]azo]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[(E)-[4-methyl-2-(oxan-2-yloxymethyl)-2H-pyran-6-yl]iminocarbamoyl]sulfamoyl]benzoic acid Traditional Name: 2-[[(E)-[4-methyl-2-(tetrahydropyran-2-yloxymethyl)-2H-pyran-6-yl]iminocarbamoyl]sulfamoyl]benzoic acid Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(OC(=C1)N=NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)COC3CCCCO3

Isomeric SMILES

CC1=CC(OC(=C1)/N=N/C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)COC3CCCCO3

InChI

InChI=1S/C20H23N3O8S/c1-13-10-14(12-30-18-8-4-5-9-29-18)31-17(11-13)21-22-20(26)23-32(27,28)16-7-3-2-6-15(16)19(24)25/h2-3,6-7,10-11,14,18H,4-5,8-9,12H2,1H3,(H,23,26)(H,24,25)/b22-21+