2-[methyl(oxan-4-yl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[methyl(oxan-4-yl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[methyl(tetrahydropyran-4-yl)amino]-5-sulfamoyl-benzoic acid CAS Name: 2-[methyl(4-oxanyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[methyl(oxan-4-yl)amino]-5-sulfamoylbenzoic acid Traditional Name: 2-[methyl(tetrahydropyran-4-yl)amino]-5-sulfamoyl-benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CN(C1CCOCC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-15(9-4-6-20-7-5-9)12-3-2-10(21(14,18)19)8-11(12)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)(H2,14,18,19)