3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-4-methoxy-benzoic acid CAS Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-4-methoxybenzoic acid Traditional Name: 3-(3-amino-3-keto-2-methyl-propyl)sulfonyl-4-methoxy-benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC)C(=O)N

Isomeric SMILES

CC(CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC)C(=O)N

InChI

InChI=1S/C12H15NO6S/c1-7(11(13)14)6-20(17,18)10-5-8(12(15)16)3-4-9(10)19-2/h3-5,7H,6H2,1-2H3,(H2,13,14)(H,15,16)