5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2-methoxy-benzoic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2-methoxy-benzoic acid Openeye Name: 5-(3-amino-3-oxo-propyl)sulfonyl-2-methoxy-benzoic acid CAS Name: 5-(3-amino-3-oxopropyl)sulfonyl-2-methoxybenzoic acid IUPAC Name: 5-(3-amino-3-oxopropyl)sulfonyl-2-methoxybenzoic acid Traditional Name: 5-(3-amino-3-keto-propyl)sulfonyl-2-methoxy-benzoic acid Formula: C11H13NO6S MolecularWeight: 287.28902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)N)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)N)C(=O)O

InChI

InChI=1S/C11H13NO6S/c1-18-9-3-2-7(6-8(9)11(14)15)19(16,17)5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H2,12,13)(H,14,15)