3-azanyl-4-(oxolan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-azanyl-4-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-amino-4-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3-amino-4-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 3-amino-4-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-amino-4-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CC(OC1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C12H15NO5S/c13-10-6-8(12(14)15)3-4-11(10)19(16,17)7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7,13H2,(H,14,15)