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

Systemtic Name: 3-azanyl-4-(3-methoxy-3-oxidanylidene-propyl)sulfonyl-benzoic acid Openeye Name: 3-amino-4-(3-methoxy-3-oxo-propyl)sulfonyl-benzoic acid CAS Name: 3-amino-4-(3-methoxy-3-oxopropyl)sulfonylbenzoic acid IUPAC Name: 3-amino-4-(3-methoxy-3-oxopropyl)sulfonylbenzoic acid Traditional Name: 3-amino-4-(3-keto-3-methoxy-propyl)sulfonyl-benzoic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)N

InChI

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