3-[[3-(3-aminophenyl)-3-oxidanylidene-propanoyl]amino]-4-methoxy-benzenesulfonic acid

Systemtic Name: 3-[[3-(3-aminophenyl)-3-oxidanylidene-propanoyl]amino]-4-methoxy-benzenesulfonic acid Openeye Name: 3-[[3-(3-aminophenyl)-3-oxo-propanoyl]amino]-4-methoxy-benzenesulfonic acid CAS Name: 3-[[3-(3-aminophenyl)-1,3-dioxopropyl]amino]-4-methoxybenzenesulfonic acid IUPAC Name: 3-[[3-(3-aminophenyl)-3-oxopropanoyl]amino]-4-methoxybenzenesulfonic acid Traditional Name: 3-[[3-(3-aminophenyl)-3-keto-propanoyl]amino]-4-methoxy-besylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C16H16N2O6S/c1-24-15-6-5-12(25(21,22)23)8-13(15)18-16(20)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9,17H2,1H3,(H,18,20)(H,21,22,23)