3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-4-methoxy-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-methoxybenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-4-methoxy-benzoic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-6(10(12)13)19(16,17)9-5-7(11(14)15)3-4-8(9)18-2/h3-6H,1-2H3,(H2,12,13)(H,14,15)