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

Systemtic Name: 3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-(3-amino-3-oxo-propyl)sulfonyl-4-ethyl-benzoic acid CAS Name: 3-(3-amino-3-oxopropyl)sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-(3-amino-3-oxopropyl)sulfonyl-4-ethylbenzoic acid Traditional Name: 3-(3-amino-3-keto-propyl)sulfonyl-4-ethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCC(=O)N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCC(=O)N

InChI

InChI=1S/C12H15NO5S/c1-2-8-3-4-9(12(15)16)7-10(8)19(17,18)6-5-11(13)14/h3-4,7H,2,5-6H2,1H3,(H2,13,14)(H,15,16)